 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer02_STD_M11_augccpVDZ.in
 Output=31_naproxen_conformer02_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/Gau-108865.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    108886.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer02_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer02_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.615023000000      0.729781000000     -0.120185000000
  C                                                 1.174818000000     -0.568179000000     -0.283542000000
  C                                                -0.780302000000      0.906987000000     -0.261681000000
  C                                                -1.617220000000     -0.146278000000     -0.555082000000
  C                                                -1.047135000000     -1.433774000000     -0.715027000000
  C                                                 0.299785000000     -1.638621000000     -0.586238000000
  C                                                 1.486810000000      1.806637000000      0.177553000000
  H                                                -1.178331000000      1.906903000000     -0.143779000000
  H                                                -1.698736000000     -2.268417000000     -0.944366000000
  H                                                 0.712660000000     -2.631458000000     -0.716974000000
  C                                                -3.119636000000     -0.001144000000     -0.656452000000
  C                                                -3.609136000000      1.393587000000     -1.071585000000
  C                                                -3.848641000000     -0.385756000000      0.641287000000
  H                                                -3.484147000000     -0.716442000000     -1.395606000000
  H                                                -3.143214000000      1.693230000000     -2.010455000000
  H                                                -3.376132000000      2.146319000000     -0.317339000000
  H                                                -4.689812000000      1.377587000000     -1.202459000000
  O                                                -4.992051000000     -0.744475000000      0.660385000000
  O                                                -3.149570000000     -0.248062000000      1.788254000000
  H                                                -2.231771000000     -0.009601000000      1.581011000000
  C                                                 2.830377000000      1.609633000000      0.308486000000
  C                                                 3.384420000000      0.315464000000      0.146592000000
  C                                                 2.571198000000     -0.754342000000     -0.144922000000
  O                                                 4.730828000000      0.251048000000      0.301729000000
  C                                                 5.361258000000     -1.010989000000      0.156412000000
  H                                                 1.070645000000      2.798805000000      0.302176000000
  H                                                 3.502511000000      2.425784000000      0.536445000000
  H                                                 2.973183000000     -1.748599000000     -0.273266000000
  H                                                 6.421812000000     -0.837666000000      0.319337000000
  H                                                 5.207672000000     -1.416612000000     -0.847613000000
  H                                                 4.990297000000     -1.725949000000      0.896247000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.422939   0.000000
     3  C    1.413632   2.449303   0.000000
     4  C    2.437114   2.836761   1.376911   0.000000
     5  C    2.792414   2.423326   2.399142   1.417119   0.000000
     6  C    2.434319   1.415328   2.784249   2.429602   1.368482
     7  C    1.417138   2.439200   2.478325   3.739737   4.209256
     8  H    2.145295   3.418022   1.082663   2.139473   3.391705
     9  H    3.875816   3.403647   3.375318   2.159088   1.083425
    10  H    3.415204   2.158373   3.867405   3.410377   2.128692
    11  C    3.843112   4.347750   2.540281   1.512810   2.520143
    12  C    4.380562   5.230273   2.982453   2.570153   3.832095
    13  C    4.663535   5.111138   3.449817   2.543204   3.284260
    14  H    4.530061   4.792142   3.351430   2.125320   2.629977
    15  H    4.315750   5.171228   3.042982   2.798313   3.981185
    16  H    4.239666   5.299131   2.877043   2.899361   4.289458
    17  H    5.452728   6.246943   4.048555   3.490284   4.627141
    18  O    5.849957   6.241182   4.616965   3.636576   4.234295
    19  O    4.332491   4.805741   3.339132   2.801728   3.477436
    20  H    3.397792   3.923444   2.518414   2.226937   2.950156
    21  C    2.421919   2.798971   3.722339   4.859022   5.034382
    22  C    2.812897   2.418301   4.226286   5.071682   4.841580
    23  C    2.455576   1.415539   3.742486   4.252155   3.725450
    24  O    4.164979   3.695792   5.578552   6.417921   6.103874
    25  C    5.062957   4.232720   6.447650   7.067751   6.481177
    26  H    2.160287   3.419137   2.706088   4.078360   4.840911
    27  H    3.412503   3.879993   4.613701   5.832545   6.096036
    28  H    3.424430   2.151189   4.597926   4.870180   4.056750
    29  H    6.030661   5.288387   7.433158   8.115951   7.563757
    30  H    5.121385   4.159558   6.449671   6.948271   6.256236
    31  H    5.119254   4.158150   6.447710   6.947014   6.255570
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723199   0.000000
     8  H    3.866696   2.686314   0.000000
     9  H    2.125790   5.292681   4.283113   0.000000
    10  H    1.083182   4.593057   4.949861   2.449150   0.000000
    11  C    3.791926   5.018265   2.769863   2.691167   4.648517
    12  C    4.970866   5.263043   2.652005   4.132322   5.916473
    13  C    4.503990   5.786940   3.605991   3.268149   5.262463
    14  H    3.977893   5.792337   3.710229   2.408306   4.662726
    15  H    4.998386   5.122242   2.718621   4.349449   5.936648
    16  H    5.283034   4.899848   2.217605   4.764107   6.301197
    17  H    5.862876   6.343436   3.705601   4.722975   6.744986
    18  O    5.509727   6.979752   4.713910   3.967814   6.164540
    19  O    4.412473   5.320918   3.501772   3.695127   5.183972
    20  H    3.709373   4.369927   2.785251   3.429855   4.563392
    21  C    4.213737   1.364231   4.045078   6.092764   4.850067
    22  C    3.724307   2.413603   4.841042   5.805610   4.070430
    23  C    2.477100   2.799732   4.597955   4.600421   2.702771
    24  O    4.898314   3.599851   6.152926   7.017104   5.048987
    25  C    5.154024   4.790700   7.167317   7.255091   4.999819
    26  H    4.590670   1.083107   2.460134   5.907629   5.536657
    27  H    5.295022   2.138971   4.758385   7.161096   5.910163
    28  H    2.693901   3.879722   5.533040   4.748412   2.467039
    29  H    6.240257   5.600597   8.093782   8.341900   6.073388
    30  H    4.919854   5.028431   7.233406   6.959411   4.658117
    31  H    4.919989   5.026938   7.234033   6.958828   4.660537
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535324   0.000000
    13  C    1.537368   2.481402   0.000000
    14  H    1.091269   2.138419   2.095505   0.000000
    15  H    2.169051   1.090113   3.442607   2.510138   0.000000
    16  H    2.189152   1.090772   2.748387   3.061001   1.768101
    17  H    2.159740   1.088689   2.686326   2.424024   1.773261
    18  O    2.406769   3.079526   1.198512   2.549835   4.061279
    19  O    2.457326   3.329398   1.350257   3.235473   4.266010
    20  H    2.407201   3.301869   1.907575   3.305801   4.077866
    21  C    6.239260   6.589279   6.978654   6.941741   6.408453
    22  C    6.561087   7.180260   7.283791   7.114803   7.011497
    23  C    5.763208   6.608240   6.478296   6.183272   6.490403
    24  O    7.912743   8.529149   8.609768   8.444098   8.332264
    25  C    8.579400   9.367920   9.243823   8.985361   9.183363
    26  H    5.130023   5.075648   5.869906   5.998796   4.932258
    27  H    7.153028   7.363879   7.871162   7.900620   7.154649
    28  H    6.350029   7.337409   7.016483   6.634916   7.230099
    29  H    9.627625  10.369815  10.285430  10.054041  10.164796
    30  H    8.448914   9.256537   9.235599   8.737176   8.986691
    31  H    8.435451   9.357036   8.943598   8.836736   9.289440
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760722   0.000000
    18  O    3.453090   2.839839   0.000000
    19  O    3.196547   3.736234   2.216585   0.000000
    20  H    3.092133   3.964084   3.001123   0.970654   0.000000
    21  C    6.261026   7.673985   8.176554   6.434323   5.465033
    22  C    7.019425   8.254772   8.458884   6.760595   5.805586
    23  C    6.619237   7.641058   7.606008   6.059759   5.157712
    24  O    8.348539   9.606255   9.780290   8.034895   7.083946
    25  C    9.302420  10.419973  10.368993   8.699377   7.790144
    26  H    4.536889   6.121001   7.031318   5.413136   4.519791
    27  H    6.937058   8.440181   9.067717   7.277820   6.316978
    28  H    7.448901   8.328141   8.082383   6.632464   5.792582
    29  H   10.262029  11.432034  11.419337   9.701376   8.784191
    30  H    9.308993  10.290464  10.332482   8.840633   7.951302
    31  H    9.298623  10.379837  10.033254   8.320893   7.454731
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.417056   0.000000
    23  C    2.420977   1.375062   0.000000
    24  O    2.336132   1.356846   2.423697   0.000000
    25  C    3.646388   2.380643   2.817997   1.418202   0.000000
    26  H    2.123871   3.397756   3.882835   4.459597   5.739785
    27  H    1.081588   2.149275   3.383017   2.508651   3.925656
    28  H    3.411239   2.146102   1.080098   2.723697   2.536059
    29  H    4.346009   3.253506   3.879395   2.011227   1.086904
    30  H    4.018240   2.704215   2.807734   2.080735   1.093702
    31  H    4.017067   2.703367   2.807150   2.080695   1.093680
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471437   0.000000
    28  H    4.962829   4.285008   0.000000
    29  H    6.469869   4.384012   3.615801   0.000000
    30  H    6.017204   4.425743   2.330886   1.780755   0.000000
    31  H    6.015812   4.424913   2.331742   1.780760   1.784374
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.80D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3776815           0.2086420           0.1975031
 Leave Link  202 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4081582636 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Tue Aug 17 18:13:00 2021, MaxMem=  5368709120 cpu:              10.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.49D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.42D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Tue Aug 17 18:13:00 2021, MaxMem=  5368709120 cpu:               5.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Tue Aug 17 18:13:01 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer02_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Tue Aug 17 18:13:01 2021, MaxMem=  5368709120 cpu:               6.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.255875919884    
 DIIS: error= 3.88D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.255875919884     IErMin= 1 ErrMin= 3.88D-03
 ErrMax= 3.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-02 BMatP= 2.15D-02
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.88D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 GapD=    0.322 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.11D-02 MaxDP=8.13D+00              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.49D-02    CP:  1.75D+00
 E= -767.276257976648     Delta-E=       -0.020382056763 Rises=F Damp=F
 DIIS: error= 6.29D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.276257976648     IErMin= 2 ErrMin= 6.29D-04
 ErrMax= 6.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-03 BMatP= 2.15D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.29D-03
 Coeff-Com:  0.676D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.672D-02 0.993D+00
 Gap=     0.298 Goal=   None    Shift=    0.000
 RMSDP=1.30D-02 MaxDP=1.44D+00 DE=-2.04D-02 OVMax= 9.76D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.56D-03    CP:  1.89D+00  1.17D+00
 E= -767.276757981293     Delta-E=       -0.000500004645 Rises=F Damp=F
 DIIS: error= 6.54D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.276757981293     IErMin= 2 ErrMin= 6.29D-04
 ErrMax= 6.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.59D-04 BMatP= 1.02D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.54D-03
 Coeff-Com: -0.472D-01 0.510D+00 0.537D+00
 Coeff-En:   0.000D+00 0.254D+00 0.746D+00
 Coeff:     -0.469D-01 0.508D+00 0.539D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.49D-03 MaxDP=1.61D-01 DE=-5.00D-04 OVMax= 4.28D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.10D-04    CP:  1.91D+00  1.19D+00  1.12D+00
 E= -767.277399813809     Delta-E=       -0.000641832516 Rises=F Damp=F
 DIIS: error= 1.13D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.277399813809     IErMin= 4 ErrMin= 1.13D-04
 ErrMax= 1.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-05 BMatP= 9.59D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.13D-03
 Coeff-Com: -0.792D-02 0.965D-02 0.968D-01 0.901D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.791D-02 0.964D-02 0.967D-01 0.902D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.93D-04 MaxDP=2.53D-02 DE=-6.42D-04 OVMax= 1.47D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.90D-04    CP:  1.91D+00  1.20D+00  1.18D+00  1.25D+00
 E= -767.277423043999     Delta-E=       -0.000023230190 Rises=F Damp=F
 DIIS: error= 4.70D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.277423043999     IErMin= 5 ErrMin= 4.70D-05
 ErrMax= 4.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-06 BMatP= 1.83D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-02-0.504D-01-0.205D-01 0.403D+00 0.667D+00
 Coeff:      0.168D-02-0.504D-01-0.205D-01 0.403D+00 0.667D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=8.41D-05 MaxDP=6.68D-03 DE=-2.32D-05 OVMax= 6.31D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.55D-05    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.25D+00
 E= -767.277429212055     Delta-E=       -0.000006168056 Rises=F Damp=F
 DIIS: error= 1.89D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.277429212055     IErMin= 6 ErrMin= 1.89D-05
 ErrMax= 1.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.71D-07 BMatP= 5.68D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-02-0.212D-01-0.239D-01 0.324D-01 0.260D+00 0.751D+00
 Coeff:      0.181D-02-0.212D-01-0.239D-01 0.324D-01 0.260D+00 0.751D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=5.19D-05 MaxDP=5.60D-03 DE=-6.17D-06 OVMax= 3.59D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.46D-05    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.36D+00
                    CP:  1.36D+00
 E= -767.277430230967     Delta-E=       -0.000001018912 Rises=F Damp=F
 DIIS: error= 9.60D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.277430230967     IErMin= 7 ErrMin= 9.60D-06
 ErrMax= 9.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.09D-08 BMatP= 6.71D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-03 0.177D-02-0.426D-02-0.592D-01-0.285D-01 0.240D+00
 Coeff-Com:  0.850D+00
 Coeff:      0.311D-03 0.177D-02-0.426D-02-0.592D-01-0.285D-01 0.240D+00
 Coeff:      0.850D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.75D-05 MaxDP=3.05D-03 DE=-1.02D-06 OVMax= 2.26D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.75D-06    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.41D+00
                    CP:  1.49D+00  1.57D+00
 E= -767.277430462764     Delta-E=       -0.000000231797 Rises=F Damp=F
 DIIS: error= 3.49D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.277430462764     IErMin= 8 ErrMin= 3.49D-06
 ErrMax= 3.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-08 BMatP= 9.09D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.202D-03 0.375D-02 0.290D-02-0.208D-01-0.467D-01-0.576D-01
 Coeff-Com:  0.220D+00 0.899D+00
 Coeff:     -0.202D-03 0.375D-02 0.290D-02-0.208D-01-0.467D-01-0.576D-01
 Coeff:      0.220D+00 0.899D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=7.40D-06 MaxDP=6.46D-04 DE=-2.32D-07 OVMax= 1.12D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.22D-06    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.55D+00  1.77D+00  1.45D+00
 E= -767.277430503253     Delta-E=       -0.000000040490 Rises=F Damp=F
 DIIS: error= 1.60D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.277430503253     IErMin= 9 ErrMin= 1.60D-06
 ErrMax= 1.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-09 BMatP= 1.32D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-03 0.114D-02 0.190D-02 0.697D-03-0.141D-01-0.630D-01
 Coeff-Com: -0.504D-01 0.383D+00 0.741D+00
 Coeff:     -0.120D-03 0.114D-02 0.190D-02 0.697D-03-0.141D-01-0.630D-01
 Coeff:     -0.504D-01 0.383D+00 0.741D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=3.39D-06 MaxDP=2.88D-04 DE=-4.05D-08 OVMax= 4.06D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.10D-06    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.56D+00  1.85D+00  1.63D+00  1.28D+00
 E= -767.277430510404     Delta-E=       -0.000000007151 Rises=F Damp=F
 DIIS: error= 4.22D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.277430510404     IErMin=10 ErrMin= 4.22D-07
 ErrMax= 4.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-10 BMatP= 3.41D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-06-0.311D-03 0.621D-04 0.360D-02 0.441D-02-0.536D-02
 Coeff-Com: -0.490D-01-0.595D-01 0.147D+00 0.959D+00
 Coeff:      0.122D-06-0.311D-03 0.621D-04 0.360D-02 0.441D-02-0.536D-02
 Coeff:     -0.490D-01-0.595D-01 0.147D+00 0.959D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.63D-06 MaxDP=2.58D-04 DE=-7.15D-09 OVMax= 1.97D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.01D-07    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.56D+00  1.88D+00  1.70D+00  1.40D+00  1.28D+00
 E= -767.277430511256     Delta-E=       -0.000000000852 Rises=F Damp=F
 DIIS: error= 1.66D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.277430511256     IErMin=11 ErrMin= 1.66D-07
 ErrMax= 1.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.86D-11 BMatP= 2.74D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-04-0.267D-03-0.217D-03 0.131D-02 0.349D-02 0.597D-02
 Coeff-Com: -0.127D-01-0.668D-01-0.410D-01 0.364D+00 0.746D+00
 Coeff:      0.154D-04-0.267D-03-0.217D-03 0.131D-02 0.349D-02 0.597D-02
 Coeff:     -0.127D-01-0.668D-01-0.410D-01 0.364D+00 0.746D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=4.38D-07 MaxDP=3.93D-05 DE=-8.52D-10 OVMax= 5.89D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.01D-07    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.56D+00  1.88D+00  1.71D+00  1.44D+00  1.38D+00
                    CP:  1.15D+00
 E= -767.277430511224     Delta-E=        0.000000000033 Rises=F Damp=F
 DIIS: error= 8.59D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.277430511256     IErMin=12 ErrMin= 8.59D-08
 ErrMax= 8.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.63D-12 BMatP= 5.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.359D-05-0.131D-04-0.658D-04-0.295D-03 0.121D-03 0.253D-02
 Coeff-Com:  0.489D-02-0.548D-02-0.390D-01-0.597D-01 0.188D+00 0.909D+00
 Coeff:      0.359D-05-0.131D-04-0.658D-04-0.295D-03 0.121D-03 0.253D-02
 Coeff:      0.489D-02-0.548D-02-0.390D-01-0.597D-01 0.188D+00 0.909D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.96D-07 MaxDP=1.70D-05 DE= 3.25D-11 OVMax= 3.80D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.42D-08    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.56D+00  1.88D+00  1.72D+00  1.45D+00  1.43D+00
                    CP:  1.28D+00  1.32D+00
 E= -767.277430511159     Delta-E=        0.000000000065 Rises=F Damp=F
 DIIS: error= 4.87D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -767.277430511256     IErMin=13 ErrMin= 4.87D-08
 ErrMax= 4.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-12 BMatP= 7.63D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-05 0.394D-04 0.179D-04-0.283D-03-0.512D-03-0.312D-03
 Coeff-Com:  0.293D-02 0.958D-02-0.416D-02-0.688D-01-0.818D-01 0.193D+00
 Coeff-Com:  0.951D+00
 Coeff:     -0.156D-05 0.394D-04 0.179D-04-0.283D-03-0.512D-03-0.312D-03
 Coeff:      0.293D-02 0.958D-02-0.416D-02-0.688D-01-0.818D-01 0.193D+00
 Coeff:      0.951D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.09D-07 MaxDP=1.16D-05 DE= 6.50D-11 OVMax= 2.10D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.10D-08    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.56D+00  1.89D+00  1.72D+00  1.45D+00  1.44D+00
                    CP:  1.34D+00  1.49D+00  1.43D+00
 E= -767.277430511376     Delta-E=       -0.000000000217 Rises=F Damp=F
 DIIS: error= 2.18D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -767.277430511376     IErMin=14 ErrMin= 2.18D-08
 ErrMax= 2.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-13 BMatP= 1.48D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-05 0.139D-04 0.221D-04-0.340D-05-0.166D-03-0.736D-03
 Coeff-Com: -0.472D-03 0.411D-02 0.821D-02-0.306D-02-0.678D-01-0.185D+00
 Coeff-Com:  0.278D+00 0.968D+00
 Coeff:     -0.133D-05 0.139D-04 0.221D-04-0.340D-05-0.166D-03-0.736D-03
 Coeff:     -0.472D-03 0.411D-02 0.821D-02-0.306D-02-0.678D-01-0.185D+00
 Coeff:      0.278D+00 0.968D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=4.98D-08 MaxDP=3.96D-06 DE=-2.17D-10 OVMax= 1.30D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.18D-08    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.56D+00  1.89D+00  1.72D+00  1.45D+00  1.45D+00
                    CP:  1.35D+00  1.58D+00  1.73D+00  1.40D+00
 E= -767.277430511369     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 9.34D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -767.277430511376     IErMin=15 ErrMin= 9.34D-09
 ErrMax= 9.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-14 BMatP= 4.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-06-0.637D-05 0.467D-06 0.639D-04 0.865D-04-0.890D-04
 Coeff-Com: -0.764D-03-0.135D-02 0.275D-02 0.156D-01 0.569D-02-0.886D-01
 Coeff-Com: -0.152D+00 0.187D+00 0.103D+01
 Coeff:      0.107D-06-0.637D-05 0.467D-06 0.639D-04 0.865D-04-0.890D-04
 Coeff:     -0.764D-03-0.135D-02 0.275D-02 0.156D-01 0.569D-02-0.886D-01
 Coeff:     -0.152D+00 0.187D+00 0.103D+01
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.73D-08 MaxDP=1.61D-06 DE= 6.82D-12 OVMax= 5.52D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  9.05D-09    CP:  1.91D+00  1.19D+00  1.19D+00  1.31D+00  1.42D+00
                    CP:  1.56D+00  1.89D+00  1.72D+00  1.45D+00  1.45D+00
                    CP:  1.36D+00  1.59D+00  1.84D+00  1.71D+00  1.33D+00
 E= -767.277430511417     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 1.86D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -767.277430511417     IErMin=16 ErrMin= 1.86D-09
 ErrMax= 1.86D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-15 BMatP= 5.76D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-06-0.337D-05-0.270D-05 0.179D-04 0.459D-04 0.661D-04
 Coeff-Com: -0.133D-03-0.864D-03-0.215D-03 0.434D-02 0.994D-02-0.735D-03
 Coeff-Com: -0.684D-01-0.732D-01 0.264D+00 0.865D+00
 Coeff:      0.195D-06-0.337D-05-0.270D-05 0.179D-04 0.459D-04 0.661D-04
 Coeff:     -0.133D-03-0.864D-03-0.215D-03 0.434D-02 0.994D-02-0.735D-03
 Coeff:     -0.684D-01-0.732D-01 0.264D+00 0.865D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=8.79D-09 MaxDP=9.05D-07 DE=-4.84D-11 OVMax= 1.12D-07

 SCF Done:  E(RM11) =  -767.277430511     A.U. after   16 cycles
            NFock= 16  Conv=0.88D-08     -V/T= 2.0063
 KE= 7.624629466313D+02 PE=-4.059325248685D+03 EE= 1.393176713279D+03
 Leave Link  502 at Tue Aug 17 18:30:51 2021, MaxMem=  5368709120 cpu:            8529.6 elap:            1069.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.98035848D+02

 Leave Link  801 at Tue Aug 17 18:30:51 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.35D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.04D-01 9.20D-02.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 4.86D-02 8.70D-02.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 6.14D-03 2.88D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 1.21D-03 1.00D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 1.67D-04 3.28D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 1.18D-05 8.03D-04.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 5.27D-07 9.04D-05.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 2.52D-08 1.37D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 1.05D-09 3.37D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 3.40D-11 7.26D-07.
      8 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 1.42D-12 1.43D-07.
      6 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 9.84D-14 2.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.295492D+03
      2  0.797649D+01  0.175291D+03
      3  0.152522D+02  0.841090D+01  0.121630D+03
 Isotropic polarizability for W=    0.088559      197.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.269822D+03 -0.547438D+02  0.677908D+02
      2  -0.115683D+03  0.559293D+02 -0.160086D+02
      3  -0.154139D+03 -0.118547D+01 -0.517822D+02
      4  -0.479818D+02  0.123220D+03  0.489846D+02
      5  -0.351296D+01  0.519763D+02 -0.331802D+02
      6   0.195105D+02 -0.539692D+02 -0.193406D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.140213D+01 -0.301929D+02 -0.105021D+01
      2   0.640397D+02  0.193949D+02 -0.124314D+02
      3   0.408061D+02 -0.583101D+02 -0.167704D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.299173D+01 -0.379607D+02  0.748593D+00
      2   0.713037D+02  0.294741D+02  0.120959D+03
      3   0.676205D+01 -0.238903D+03 -0.324658D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.206018D+01 -0.429382D+01 -0.900015D+01
      2  -0.429382D+01 -0.315588D+00  0.294243D+01
      3  -0.900015D+01  0.294243D+01  0.228204D+01
 OR G Eigenvalues:    -7.0148    -2.0813    13.1228  Iso=    -1.3422
 Eigenvectors:
   (1)   0.734677   0.184091   0.652963
   (2)   0.112756   0.915959  -0.385104
   (3)   0.668981  -0.356552  -0.652177
 w=    0.088559 a.u., Optical Rotation Beta=     -1.3422 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -295.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.25D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.28D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 3.53D-02 3.19D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 7.20D-03 1.64D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.26D-04 1.55D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 3.33D-06 2.04D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 1.16D-07 3.02D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 2.21D-09 4.55D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 3.03D-11 4.57D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 4.20D-13 5.98D-08.
     11 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 2.34D-14 1.18D-08.
      4 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 1.13D-14 8.49D-09.
      3 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 3.54D-14 1.17D-08.
      1 vectors produced by pass 12 Test12= 7.66D-14 2.78D-09 XBig12= 7.13D-15 5.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   289 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.74D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.74D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.01D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.295492D+03  0.797649D+01  0.152522D+02
      2   0.797649D+01  0.175291D+03  0.841090D+01
      3   0.152522D+02  0.841090D+01  0.121630D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.140213D+01 -0.301929D+02 -0.105021D+01
      2   0.640397D+02  0.193949D+02 -0.124314D+02
      3   0.408061D+02 -0.583101D+02 -0.167704D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.269822D+03 -0.547438D+02  0.677908D+02
      2  -0.115683D+03  0.559293D+02 -0.160086D+02
      3  -0.154139D+03 -0.118547D+01 -0.517822D+02
      4  -0.479818D+02  0.123220D+03  0.489846D+02
      5  -0.351296D+01  0.519763D+02 -0.331802D+02
      6   0.195105D+02 -0.539692D+02 -0.193406D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340706D+02 -0.314452D+01 -0.317976D+01  0.423080D+02  0.930284D+01
      2  -0.314452D+01 -0.789075D+00 -0.904275D+00  0.930284D+01  0.951171D+01
      3  -0.317976D+01 -0.904275D+00 -0.195092D+00  0.608934D+01  0.245122D+01
                 6             7             8             9            10 
      1   0.608934D+01  0.432684D+01  0.129442D+01 -0.250461D+00  0.388812D+02
      2   0.245122D+01  0.129442D+01  0.117694D+01  0.154830D+01  0.377864D+01
      3   0.389003D+00 -0.250461D+00  0.154830D+01  0.474158D+00  0.370804D+01
                11            12            13            14            15 
      1   0.377864D+01  0.370804D+01 -0.424884D+02 -0.878386D+01 -0.612664D+01
      2   0.425532D+01  0.100035D+01 -0.878386D+01 -0.809486D+01 -0.260001D+01
      3   0.100035D+01 -0.437623D-01 -0.612664D+01 -0.260001D+01 -0.456266D+00
                16            17            18            19            20 
      1  -0.294876D+01 -0.110376D+01  0.566076D+00  0.361913D+02  0.524687D+01
      2  -0.110376D+01 -0.464937D+00 -0.136946D+01  0.524687D+01  0.408190D+01
      3   0.566076D+00 -0.136946D+01 -0.467754D+00  0.338841D+01  0.964291D+00
                21            22            23            24            25 
      1   0.338841D+01  0.192418D+02  0.221806D+01  0.730394D+00  0.856647D+01
      2   0.964291D+00  0.221806D+01  0.419703D+01  0.300002D+00  0.269595D+00
      3   0.380048D+00  0.730394D+00  0.300002D+00  0.214537D+01 -0.803713D+00
                26            27            28            29            30 
      1   0.269595D+00 -0.803713D+00 -0.431368D+02 -0.459456D+01 -0.119428D+01
      2  -0.212342D-01  0.321545D+01 -0.459456D+01 -0.278188D+01 -0.304021D+00
      3   0.321545D+01  0.964374D+00 -0.119428D+01 -0.304021D+00 -0.209114D+01
                31            32            33            34            35 
      1  -0.112918D+02 -0.735403D+00  0.214914D+00 -0.577391D+01  0.358869D+00
      2  -0.735403D+00 -0.844806D+01 -0.225375D+01  0.358869D+00 -0.219699D+01
      3   0.214914D+00 -0.225375D+01 -0.554407D+00 -0.547015D+01 -0.120675D+01
                36            37            38            39            40 
      1  -0.547015D+01 -0.842941D+01 -0.138729D+00 -0.355699D+00 -0.572605D+01
      2  -0.120675D+01 -0.138729D+00 -0.881660D+01 -0.142504D+01 -0.173927D+01
      3  -0.160939D+01 -0.355699D+00 -0.142504D+01 -0.269761D+01  0.557361D+00
                41            42            43            44            45 
      1  -0.173927D+01  0.557361D+00 -0.124566D+01  0.107580D+01 -0.416584D+01
      2   0.320267D+01  0.143087D+01  0.107580D+01  0.287153D+00 -0.234655D+01
      3   0.143087D+01 -0.576057D+00 -0.416584D+01 -0.234655D+01 -0.293604D+01
                46            47            48            49            50 
      1   0.128674D+02  0.222283D+01  0.184760D+01 -0.179748D-01 -0.776168D+00
      2   0.222283D+01  0.624714D+01  0.217655D+01 -0.776168D+00 -0.107354D+00
      3   0.184760D+01  0.217655D+01  0.303755D+01 -0.667615D-01  0.100835D+01
                51            52            53            54            55 
      1  -0.667615D-01  0.146950D+01  0.405700D+00  0.166635D+01 -0.138008D+02
      2   0.100835D+01  0.405700D+00  0.222293D+01 -0.328766D+01 -0.385637D+01
      3  -0.132061D+01  0.166635D+01 -0.328766D+01 -0.115150D+01 -0.196562D+01
                56            57            58            59            60 
      1  -0.385637D+01 -0.196562D+01 -0.216024D+01  0.429278D+00 -0.279173D+00
      2  -0.951859D+01 -0.183687D+01  0.429278D+00 -0.707201D+00 -0.948532D+00
      3  -0.183687D+01 -0.289820D+01 -0.279173D+00 -0.948532D+00  0.148617D+01
                61            62            63            64            65 
      1  -0.190714D+01 -0.562245D+00 -0.173836D+01 -0.181588D+01  0.228890D+01
      2  -0.562245D+00 -0.270111D+01  0.325493D+01  0.228890D+01 -0.128838D+01
      3  -0.173836D+01  0.325493D+01  0.598517D+00 -0.137186D-01  0.161967D+00
                66            67            68            69            70 
      1  -0.137186D-01  0.316377D+01 -0.305873D+01 -0.796116D-01 -0.196202D+00
      2   0.161967D+00 -0.305873D+01  0.607769D+01  0.250294D+00 -0.999639D-01
      3  -0.130006D+00 -0.796116D-01  0.250294D+00  0.689428D+00  0.165802D-02
                71            72            73            74            75 
      1  -0.999639D-01  0.165802D-02 -0.516270D+01 -0.304517D+01 -0.117534D+01
      2   0.762357D+00  0.214973D+00 -0.304517D+01 -0.306682D+01 -0.906937D+00
      3   0.214973D+00  0.683308D-01 -0.117534D+01 -0.906937D+00 -0.731361D+00
                76            77            78            79            80 
      1  -0.329428D+01 -0.414037D+01 -0.119263D+01 -0.156992D+01 -0.125978D+01
      2  -0.414037D+01 -0.610463D+01 -0.157035D+01 -0.125978D+01 -0.140101D+01
      3  -0.119263D+01 -0.157035D+01 -0.113257D+01  0.318423D-01 -0.679482D+00
                81            82            83            84            85 
      1   0.318423D-01  0.151010D+01 -0.184695D+01 -0.212778D+00 -0.900525D+00
      2  -0.679482D+00 -0.184695D+01  0.275753D+01  0.339042D+00  0.211291D+01
      3  -0.321783D+00 -0.212778D+00  0.339042D+00  0.298634D+00  0.427519D+00
                86            87            88            89            90 
      1   0.211291D+01  0.427519D+00 -0.310383D-01  0.167309D+00 -0.168788D-01
      2  -0.947375D+01 -0.144603D+01  0.167309D+00 -0.142314D+01 -0.453758D+00
      3  -0.144603D+01 -0.104395D+01 -0.168788D-01 -0.453758D+00 -0.266990D+00
                91            92            93            94            95 
      1   0.189481D+02  0.323812D+01 -0.183790D+01  0.237659D+01  0.296880D+01
      2   0.323812D+01  0.172590D+01 -0.805775D+00  0.296880D+01 -0.129136D+01
      3  -0.183790D+01 -0.805775D+00  0.309886D+01 -0.331167D+00  0.316193D+01
                96            97            98            99           100 
      1  -0.331167D+00 -0.658386D+01 -0.134835D+01  0.568250D+01  0.780489D+01
      2   0.316193D+01 -0.134835D+01  0.185635D+01  0.231748D+01 -0.572652D+00
      3   0.129149D+01  0.568250D+01  0.231748D+01 -0.499021D+00  0.185332D+01
               101           102           103           104           105 
      1  -0.572652D+00  0.185332D+01  0.271700D+01 -0.262352D+01  0.112801D+01
      2  -0.224564D+01  0.128864D+01 -0.262352D+01  0.144668D+01 -0.309737D+01
      3   0.128864D+01 -0.330826D+01  0.112801D+01 -0.309737D+01 -0.201243D+01
               106           107           108           109           110 
      1   0.197304D+01  0.121597D+01 -0.226745D+01  0.224014D+01  0.155074D+01
      2   0.121597D+01 -0.213234D+01 -0.314073D+01  0.155074D+01  0.468549D+00
      3  -0.226745D+01 -0.314073D+01  0.289183D+01  0.230699D+00 -0.268928D+00
               111           112           113           114           115 
      1   0.230699D+00  0.989822D+00 -0.648296D+00  0.277510D+00  0.114565D+02
      2  -0.268928D+00 -0.648296D+00 -0.101701D-01 -0.143864D+00  0.118927D+01
      3  -0.140743D+01  0.277510D+00 -0.143864D+00 -0.802762D+00 -0.490714D+01
               116           117           118           119           120 
      1   0.118927D+01 -0.490714D+01 -0.264010D+01 -0.166079D+01 -0.141389D+01
      2   0.846122D+00 -0.660997D+00 -0.166079D+01 -0.980680D+00 -0.395718D+00
      3  -0.660997D+00  0.746802D+00 -0.141389D+01 -0.395718D+00 -0.153329D+01
               121           122           123           124           125 
      1  -0.518265D+01 -0.186582D+01 -0.104644D+01 -0.226229D+01 -0.530224D+00
      2  -0.186582D+01 -0.264607D+01 -0.207512D+01 -0.530224D+00 -0.202077D+01
      3  -0.104644D+01 -0.207512D+01 -0.201933D+01 -0.248075D+01 -0.190012D+01
               126           127           128           129           130 
      1  -0.248075D+01  0.691452D+00  0.309804D+00 -0.125851D+01 -0.151849D+00
      2  -0.190012D+01  0.309804D+00  0.112653D+01 -0.103389D+01  0.272817D+00
      3  -0.378736D+01 -0.125851D+01 -0.103389D+01  0.237681D+01 -0.154147D+00
               131           132           133           134           135 
      1   0.272817D+00 -0.154147D+00 -0.177578D+01  0.200439D+00  0.351618D+00
      2   0.150351D+01 -0.130303D+01  0.200439D+00 -0.202783D+01  0.284405D+01
      3  -0.130303D+01  0.188154D+01  0.351618D+00  0.284405D+01 -0.711048D+01
               136           137           138           139           140 
      1  -0.215342D+00  0.522536D+00  0.480594D+00  0.122726D+01 -0.522535D+00
      2   0.522536D+00  0.607326D+00 -0.853785D-01 -0.522535D+00  0.428183D+01
      3   0.480594D+00 -0.853785D-01  0.625600D+00 -0.133173D+00  0.169693D+01
               141           142           143           144           145 
      1  -0.133173D+00  0.148526D+01 -0.839487D+00  0.182203D+00 -0.130249D+02
      2   0.169693D+01 -0.839487D+00  0.293108D+01  0.174735D+01  0.250894D+01
      3   0.175441D+01  0.182203D+00  0.174735D+01  0.212124D+01 -0.229553D+01
               146           147           148           149           150 
      1   0.250894D+01 -0.229553D+01  0.824935D+00 -0.111299D+01  0.271557D-03
      2  -0.152997D+01  0.578269D+00 -0.111299D+01  0.178435D+00  0.372134D-01
      3   0.578269D+00 -0.144842D+01  0.271557D-03  0.372134D-01  0.870561D-01
               151           152           153           154           155 
      1  -0.149086D+01  0.170800D+00 -0.136615D+01 -0.175347D+02 -0.354778D+01
      2   0.170800D+00  0.620039D-01  0.556294D+00 -0.354778D+01 -0.235114D+01
      3  -0.136615D+01  0.556294D+00 -0.975073D+00  0.110899D+01  0.691420D+00
               156           157           158           159           160 
      1   0.110899D+01 -0.427719D+01 -0.449180D+01  0.220266D+00  0.176742D+01
      2   0.691420D+00 -0.449180D+01 -0.283011D+01  0.481156D+00  0.557031D+00
      3  -0.244310D+01  0.220266D+00  0.481156D+00 -0.423508D+00 -0.287944D+01
               161           162           163           164           165 
      1   0.557031D+00 -0.287944D+01 -0.109909D+02 -0.143619D+01  0.438231D+01
      2  -0.269596D+00 -0.897616D+00 -0.143619D+01  0.308458D+00  0.405667D-01
      3  -0.897616D+00  0.267944D+00  0.438231D+01  0.405667D-01 -0.791195D+00
               166           167           168           169           170 
      1  -0.310498D+01  0.168961D+00  0.647110D+00  0.122828D+01 -0.357720D+00
      2   0.168961D+00  0.292104D+00  0.128275D+01 -0.357720D+00  0.462527D+00
      3   0.647110D+00  0.128275D+01 -0.112281D+00 -0.326629D+00 -0.375782D+00
               171           172           173           174           175 
      1  -0.326629D+00  0.100774D+02  0.925509D+00 -0.240395D+01  0.255955D+01
      2  -0.375782D+00  0.925509D+00  0.135574D+00 -0.183621D+00 -0.326225D-01
      3   0.650485D+01 -0.240395D+01 -0.183621D+00  0.253612D+01 -0.687176D+00
               176           177           178           179           180 
      1  -0.326225D-01 -0.687176D+00 -0.571039D+01 -0.411117D+00  0.235563D+01
      2   0.909322D-01  0.540530D+00 -0.411117D+00  0.100830D+01  0.341748D+00
      3   0.540530D+00  0.780940D+00  0.235563D+01  0.341748D+00  0.144630D+00
               181           182           183           184           185 
      1   0.118612D+02  0.943679D+00  0.632505D+00  0.638744D+01  0.988389D+00
      2   0.943679D+00  0.103713D+02  0.683102D+00  0.988389D+00 -0.488698D+01
      3   0.632505D+00  0.683102D+00  0.267202D+01 -0.196036D+00 -0.137090D+01
               186           187           188           189           190 
      1  -0.196036D+00  0.131391D+01 -0.977354D+00  0.460001D+01  0.371961D+02
      2  -0.137090D+01 -0.977354D+00 -0.814858D+00  0.282915D+01  0.263815D+01
      3   0.118281D+01  0.460001D+01  0.282915D+01  0.269039D+01  0.294821D+01
               191           192           193           194           195 
      1   0.263815D+01  0.294821D+01  0.168656D+02  0.476269D+00  0.432522D+00
      2   0.587630D+01  0.494751D+00  0.476269D+00  0.128945D+02  0.152605D+01
      3   0.494751D+00  0.447966D+01  0.432522D+00  0.152605D+01  0.703135D+00
               196           197           198           199           200 
      1   0.583623D+01 -0.897908D+00  0.689086D+01 -0.375537D+02 -0.459918D+01
      2  -0.897908D+00  0.269213D+01  0.115760D+01 -0.459918D+01 -0.752660D+01
      3   0.689086D+01  0.115760D+01  0.221360D+01 -0.420356D+01 -0.987306D+00
               201           202           203           204           205 
      1  -0.420356D+01 -0.196197D+02 -0.631948D+00 -0.175761D+01 -0.819169D+01
      2  -0.987306D+00 -0.631948D+00 -0.553032D+01  0.227032D+00 -0.290115D+00
      3  -0.533925D+00 -0.175761D+01  0.227032D+00 -0.297797D+01 -0.599439D+00
               206           207           208           209           210 
      1  -0.290115D+00 -0.599439D+00 -0.832678D+01  0.896316D+00 -0.686193D+00
      2  -0.634098D+00 -0.350837D+01  0.896316D+00 -0.219211D+01 -0.269438D+00
      3  -0.350837D+01 -0.164767D+01 -0.686193D+00 -0.269438D+00 -0.944277D+00
               211           212           213           214           215 
      1   0.149839D+01  0.147641D+01  0.620378D+00 -0.595502D+00  0.292691D+00
      2   0.147641D+01  0.198527D+01  0.677023D+00  0.292691D+00 -0.328853D-01
      3   0.620378D+00  0.677023D+00 -0.975291D+00  0.256123D+00  0.408444D+00
               216           217           218           219           220 
      1   0.256123D+00 -0.372598D+01 -0.177796D+01 -0.832324D+00 -0.337601D+01
      2   0.408444D+00 -0.177796D+01  0.276660D+01 -0.480029D+00  0.186555D-01
      3  -0.150455D-01 -0.832324D+00 -0.480029D+00  0.142770D+01 -0.107656D+01
               221           222           223           224           225 
      1   0.186555D-01 -0.107656D+01 -0.918880D+00 -0.620959D+00 -0.123007D+01
      2  -0.260721D+00 -0.179203D+01 -0.620959D+00 -0.115971D+01  0.362794D+01
      3  -0.179203D+01  0.536868D+01 -0.123007D+01  0.362794D+01  0.256057D+01
               226           227           228           229           230 
      1  -0.116026D+01  0.156774D+01  0.128379D+00  0.513757D+00 -0.150910D+01
      2   0.156774D+01 -0.284256D+01 -0.287173D+00 -0.150910D+01  0.951817D+01
      3   0.128379D+00 -0.287173D+00 -0.271175D+00 -0.312139D+00  0.120171D+01
               231           232           233           234           235 
      1  -0.312139D+00 -0.657110D-01 -0.168671D+00  0.159333D+00  0.585058D+01
      2   0.120171D+01 -0.168671D+00  0.128446D+01  0.434102D+00  0.399294D+01
      3   0.976516D+00  0.159333D+00  0.434102D+00  0.275383D+00  0.136460D+01
               236           237           238           239           240 
      1   0.399294D+01  0.136460D+01  0.436351D+01  0.491016D+01  0.131608D+01
      2   0.374901D+01  0.995018D+00  0.491016D+01  0.649729D+01  0.152726D+01
      3   0.995018D+00  0.875581D+00  0.131608D+01  0.152726D+01  0.114741D+01
               241           242           243           244           245 
      1   0.166032D+01  0.144355D+01  0.894508D-01  0.219744D+01 -0.242104D+01
      2   0.144355D+01  0.158866D+01  0.627881D+00 -0.242104D+01  0.144477D+01
      3   0.894508D-01  0.627881D+00  0.331202D+00 -0.216050D+00 -0.330445D-01
               246           247           248           249           250 
      1  -0.216050D+00 -0.367524D+01  0.326161D+01  0.244430D+00 -0.424173D+00
      2  -0.330445D-01  0.326161D+01 -0.601482D+01 -0.644178D+00  0.273684D+00
      3   0.128192D+00  0.244430D+00 -0.644178D+00 -0.647873D+00  0.115419D+00
               251           252           253           254           255 
      1   0.273684D+00  0.115419D+00  0.158963D+02 -0.433782D+00  0.145829D+01
      2  -0.957842D+00 -0.544956D-01 -0.433782D+00  0.957991D+00 -0.293086D-01
      3  -0.544956D-01 -0.905844D-01  0.145829D+01 -0.293086D-01  0.124637D+01
               256           257           258           259           260 
      1   0.194672D+01  0.115096D+01  0.205935D+00  0.185895D+01 -0.256500D-01
      2   0.115096D+01  0.376530D+00  0.291708D+00 -0.256500D-01  0.324384D+00
      3   0.205935D+00  0.291708D+00  0.129399D-01  0.169701D+01 -0.349541D+00
               261           262           263           264           265 
      1   0.169701D+01  0.268326D+00  0.139115D+00 -0.911995D+00 -0.545623D+00
      2  -0.349541D+00  0.139115D+00 -0.143833D+00  0.244512D+00  0.129916D+01
      3   0.355604D+00 -0.911995D+00  0.244512D+00 -0.506183D+00  0.102789D+01
               266           267           268           269           270 
      1   0.129916D+01  0.102789D+01 -0.380442D+01  0.178116D+01  0.253835D+01
      2  -0.174743D+01 -0.143388D+01  0.178116D+01 -0.174206D+01 -0.220172D+01
      3  -0.143388D+01 -0.208721D+01  0.253835D+01 -0.220172D+01 -0.597479D+01
               271           272           273           274           275 
      1  -0.892832D+00  0.304835D+00  0.625139D+00 -0.117151D+01  0.161717D+01
      2   0.304835D+00 -0.806277D+00  0.578269D+00  0.161717D+01 -0.390053D+01
      3   0.625139D+00  0.578269D+00 -0.120873D+01 -0.700671D+00  0.258702D+01
               276           277           278           279 
      1  -0.700671D+00  0.255346D+01 -0.120299D+01  0.131802D+01
      2   0.258702D+01 -0.120299D+01  0.249500D+01 -0.269264D+01
      3  -0.275440D+01  0.131802D+01 -0.269264D+01  0.364403D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.341462D+01 -0.306348D+01  0.919690D+00 -0.747896D+01 -0.628337D+01
      2  -0.766076D+01 -0.334909D+01 -0.171479D+01  0.112756D+02  0.753007D+00
      3  -0.267113D+02  0.196983D+02  0.464900D+00  0.374222D+02  0.167370D+02
                 6             7             8             9            10 
      1  -0.174923D+01  0.323112D+01  0.610053D+01  0.126696D+01 -0.107402D+01
      2  -0.828238D+00 -0.170681D+02 -0.263485D+01 -0.269188D+01  0.195700D+02
      3   0.568087D+01  0.241463D+01  0.652750D+01 -0.382291D+00 -0.926760D+00
                11            12            13            14            15 
      1  -0.567214D+01 -0.582850D+00 -0.423835D+01 -0.190014D+01  0.857787D+00
      2  -0.933843D+00 -0.466948D+01 -0.178406D+02 -0.556997D+01 -0.240246D+01
      3   0.258936D+02  0.286227D+01  0.417195D+02  0.236048D+02  0.841266D+01
                16            17            18            19            20 
      1   0.348494D+01  0.709567D+01  0.218367D+01 -0.458471D+01  0.375648D+00
      2  -0.209271D+02 -0.334115D+01 -0.335252D+01  0.141103D+02  0.577282D+01
      3   0.391977D+01  0.831675D+01  0.232481D+01  0.278167D+02 -0.161790D+02
                21            22            23            24            25 
      1  -0.918038D+00 -0.757920D+00 -0.332458D+01 -0.294604D+01  0.604676D+01
      2   0.141140D+01  0.121673D+02  0.201138D+01 -0.837733D+00 -0.148397D+02
      3   0.316224D+00  0.979913D+01  0.179927D+01  0.451372D+00 -0.588539D+00
                26            27            28            29            30 
      1   0.271780D+01 -0.219470D+01  0.129580D+00 -0.108927D+01 -0.328000D+00
      2  -0.584312D+01 -0.265373D+01 -0.236801D+02 -0.401439D+01  0.769343D+00
      3  -0.356378D+01  0.159616D+01 -0.485706D+01  0.471932D+01  0.816803D+00
                31            32            33            34            35 
      1  -0.581556D+01  0.293260D+01  0.333305D+01 -0.183576D+01  0.130641D+02
      2  -0.597906D+01  0.192460D+01  0.236211D+00 -0.144699D+02 -0.106163D-01
      3   0.204918D+02 -0.356615D+01 -0.357062D+01  0.159491D+01 -0.149360D+00
                36            37            38            39            40 
      1   0.334366D+01 -0.953464D+00  0.509511D+01 -0.466551D+01  0.382134D+01
      2  -0.865965D+00 -0.258920D+01  0.349788D+00  0.203246D+01 -0.323610D+01
      3  -0.167808D+01  0.190674D+02 -0.448032D+01 -0.119151D+01  0.254953D+01
                41            42            43            44            45 
      1  -0.346448D+01 -0.229352D+01 -0.140105D+02  0.442859D+01 -0.109219D+01
      2  -0.404756D+01  0.106588D+01 -0.105292D+02  0.619209D+01 -0.477656D+00
      3   0.702397D+01  0.312741D+01 -0.582368D+00  0.228490D+01  0.488351D+01
                46            47            48            49            50 
      1   0.188158D+01 -0.837922D+00  0.494695D+01  0.619835D+00  0.346940D+01
      2   0.878775D+01  0.306251D+01  0.216897D+01  0.292210D+01  0.251884D+01
      3  -0.314038D+02 -0.232554D+02 -0.488457D+01 -0.683906D+01 -0.189443D+02
                51            52            53            54            55 
      1  -0.334590D+01  0.966136D+01 -0.166238D+01  0.267663D+01  0.236496D+01
      2   0.142775D+01 -0.150395D+02  0.346523D+00  0.157876D+00  0.424281D+01
      3  -0.345645D+01 -0.673535D+01 -0.547300D+01 -0.650457D+01 -0.249261D+02
                56            57            58            59            60 
      1   0.310969D+01  0.750626D+01 -0.115015D+01  0.332936D+01 -0.307774D+01
      2   0.432109D+00 -0.545071D+01  0.317296D+01  0.176871D+01  0.395390D+01
      3  -0.100587D+02 -0.284296D+01 -0.386602D+00 -0.178925D+02 -0.538019D+00
                61            62            63            64            65 
      1   0.934612D+01 -0.926037D+00  0.164419D+01 -0.349126D+00 -0.656439D+00
      2  -0.202867D+02  0.450417D+01 -0.727319D-01  0.395864D+00  0.201652D+00
      3  -0.435776D+01 -0.185378D+01 -0.124520D+02 -0.204948D+01  0.160305D+01
                66            67            68            69            70 
      1   0.927208D+00  0.323254D+00 -0.145723D+01 -0.348843D+01  0.455466D+00
      2   0.129261D+00  0.577913D+00 -0.100389D+01 -0.153573D+01 -0.242325D+01
      3   0.124509D-01  0.577043D+01  0.387198D+01  0.744357D+00  0.106990D+00
                71            72            73            74            75 
      1   0.161201D+01  0.110954D+00  0.208847D+00  0.121469D+01 -0.203857D+01
      2   0.793573D+00 -0.419707D-01 -0.356579D+01 -0.130168D+01  0.113264D+01
      3   0.966676D+00 -0.633991D+00  0.774088D+01  0.136595D+00  0.804821D+00
                76            77            78            79            80 
      1   0.133450D+01  0.256160D+01 -0.276134D+01  0.303659D+01  0.208919D+01
      2  -0.148009D+01 -0.128163D+01  0.198242D+01 -0.338283D+01 -0.399450D+00
      3   0.178424D+01 -0.223177D+01 -0.897117D-01  0.162297D+01 -0.326955D+00
                81            82            83            84            85 
      1   0.142354D+00  0.137272D+01 -0.166707D+01  0.143478D+01 -0.610512D+00
      2   0.641379D+00  0.157055D+01 -0.125114D+01  0.771143D+00 -0.108443D+01
      3  -0.819759D+00 -0.608275D+01  0.287319D+01  0.165792D+00  0.551574D+01
                86            87            88            89            90 
      1   0.385091D+01 -0.380552D+01 -0.124677D+01  0.253210D+01 -0.380050D+00
      2   0.183596D+01 -0.957787D+00 -0.656654D+00 -0.627167D+00 -0.414385D+00
      3  -0.333087D+01 -0.968673D+00 -0.297335D+00 -0.766746D+00  0.728142D+00
                91            92            93            94            95 
      1  -0.960458D+00 -0.171706D+01  0.477868D+00  0.870832D+00  0.239082D+00
      2   0.194722D+02  0.393184D+01 -0.100981D+02  0.295493D+01 -0.765771D+01
      3   0.516192D+01  0.875725D+00 -0.120628D+01  0.189389D+02 -0.690313D+01
                96            97            98            99           100 
      1  -0.313131D+01 -0.176070D+00  0.411761D+01 -0.394205D+01 -0.185473D+01
      2  -0.439576D+01 -0.365843D+02 -0.867144D+01  0.499239D+01  0.250648D+01
      3   0.125828D+02 -0.303125D+01  0.107656D+02  0.836071D+01  0.147735D+02
               101           102           103           104           105 
      1   0.307569D+01  0.262681D+01  0.904007D+00  0.343399D+01  0.649986D+01
      2  -0.498158D+01  0.167046D+02 -0.170236D+01  0.814475D+01  0.942122D+01
      3  -0.166612D+02  0.848566D+01 -0.981827D+01 -0.285444D+00 -0.127679D+02
               106           107           108           109           110 
      1  -0.615454D+00  0.105755D+02  0.708037D-01  0.399735D+01  0.151340D+01
      2   0.766514D+01  0.132250D+02 -0.131577D+02 -0.196713D+02 -0.419459D+01
      3   0.674452D+01 -0.867612D+01 -0.173361D+02 -0.258401D+01  0.128921D+02
               111           112           113           114           115 
      1   0.535946D+01  0.117034D+02  0.557771D+01 -0.159372D+02  0.334034D+01
      2   0.417203D+01 -0.140871D+01 -0.819087D+00 -0.307471D+01  0.174132D+02
      3   0.131813D+01  0.115813D+02  0.991251D+01 -0.250218D+01  0.399404D+01
               116           117           118           119           120 
      1  -0.405346D+01 -0.231069D+01  0.745342D+00  0.125829D+01  0.280738D+00
      2  -0.305739D+00 -0.264651D+01  0.308797D+01  0.310281D+00  0.552883D+01
      3  -0.260646D+01 -0.190714D+01 -0.716927D+01 -0.554656D+01 -0.155541D+01
               121           122           123           124           125 
      1   0.343909D+00  0.241331D+01  0.358844D+00  0.396991D-01  0.277053D+01
      2  -0.103912D+01  0.542818D+01  0.659827D+01  0.517320D+01  0.577166D+01
      3  -0.254672D+01 -0.942987D+01 -0.744741D+01 -0.126230D+01 -0.830170D+01
               126           127           128           129           130 
      1   0.803618D+00  0.964164D+00 -0.146497D+01 -0.228978D+01 -0.214220D+00
      2   0.102562D+02  0.746759D+01  0.348871D+01 -0.932731D+01  0.795088D+00
      3  -0.737210D+01  0.401112D+01  0.516186D+01 -0.618573D+01  0.351506D+01
               131           132           133           134           135 
      1  -0.393750D+00 -0.250875D+01 -0.153142D+01  0.116948D+01  0.641304D+01
      2   0.503183D+01 -0.708099D+01 -0.617918D+01 -0.979058D+01  0.254352D+02
      3   0.611460D+01 -0.580229D+01 -0.316831D+01 -0.730302D+01  0.132234D+02
               136           137           138           139           140 
      1  -0.189548D+01 -0.842425D+00 -0.160267D+01  0.590162D-01 -0.775206D+01
      2  -0.278013D+01  0.866685D+00 -0.169273D+01  0.987549D+00 -0.678118D+01
      3   0.440088D+01  0.384756D+01  0.133469D+01  0.282547D+01  0.177355D+02
               141           142           143           144           145 
      1  -0.727122D+01 -0.426552D-01 -0.510468D+01 -0.761226D+01  0.627565D+00
      2  -0.651509D+01 -0.151242D+01 -0.687443D+01 -0.766326D+01 -0.680261D+01
      3   0.776804D+01  0.119367D+01  0.118365D+02  0.914409D+01 -0.924562D+01
               146           147           148           149           150 
      1   0.162793D+01  0.182198D+01  0.122522D+01 -0.280875D+00 -0.117062D+01
      2   0.236590D+00  0.562389D+01  0.520511D+00 -0.178168D+01 -0.396542D+00
      3  -0.613709D+01 -0.701261D+00 -0.219802D+01 -0.407278D+00  0.119881D+01
               151           152           153           154           155 
      1   0.141254D+01 -0.323942D+00  0.369839D+00 -0.314306D+01 -0.117316D+01
      2   0.276407D+01 -0.176413D+01  0.240943D+01  0.921664D+01  0.452555D+00
      3  -0.147969D+01  0.844188D+00  0.617196D+00 -0.529611D+01 -0.231056D+02
               156           157           158           159           160 
      1  -0.548157D+01 -0.823790D+01 -0.334827D+01  0.197774D+00 -0.304814D+01
      2   0.202478D+02 -0.195972D+01  0.114028D+01  0.541064D+01  0.859076D+01
      3   0.888536D+00 -0.158115D+02 -0.144887D+02  0.173173D+01  0.357727D+00
               161           162           163           164           165 
      1   0.273620D+01  0.325752D+00 -0.461729D+01 -0.219962D+01  0.495425D+00
      2   0.399417D+01 -0.117934D+01  0.701343D+01  0.338717D+01  0.674245D+00
      3   0.225895D+01 -0.231738D+01 -0.489363D+01 -0.345726D+01 -0.165291D+00
               166           167           168           169           170 
      1  -0.482416D+01 -0.600981D+00  0.473084D+01  0.215890D+01  0.740502D+01
      2   0.363236D+01 -0.544365D+01  0.114099D+01 -0.967289D+01  0.883069D+00
      3   0.176149D+01 -0.121403D+00  0.590205D+01 -0.115781D+01  0.214647D+01
               171           172           173           174           175 
      1   0.324898D+01  0.603335D+01  0.210754D+01 -0.127090D+01  0.563866D+01
      2  -0.213171D+02 -0.187694D+02 -0.231623D+01 -0.456892D+01 -0.442130D+01
      3  -0.784579D+00  0.298961D+01  0.173699D+01 -0.105505D+01  0.504763D+01
               176           177           178           179           180 
      1   0.879321D+00 -0.276333D+01 -0.144541D+01 -0.103832D+01  0.706946D+00
      2  -0.216185D+01 -0.146520D+01 -0.674992D+00  0.232479D+00 -0.130643D+01
      3   0.228934D+00  0.421066D+00 -0.153948D+01 -0.773907D+00  0.704245D+00
               181           182           183           184           185 
      1  -0.198273D+00 -0.710215D+00 -0.716915D+01  0.326084D+01 -0.212368D+01
      2  -0.149637D+01  0.105295D+01  0.786623D+01  0.236760D+01 -0.743461D+01
      3   0.219092D+02 -0.149983D+02  0.151150D+00 -0.374714D+01  0.241415D+02
               186           187           188           189           190 
      1  -0.194957D+01 -0.148828D+02  0.475802D+01 -0.322131D+01 -0.186577D+01
      2   0.256378D+01 -0.334322D+00  0.948335D+01  0.483506D+01  0.100770D+02
      3   0.444325D+01  0.686523D-01  0.536377D+01  0.210321D+01  0.101949D+02
               191           192           193           194           195 
      1  -0.572684D+01 -0.125377D+01 -0.644115D+01 -0.451978D+01  0.409634D+01
      2  -0.331011D+01  0.403821D+01 -0.210206D+01  0.477929D+01  0.142986D+01
      3   0.172830D+02  0.484350D+01  0.431476D+02 -0.224222D+02  0.171393D+01
               196           197           198           199           200 
      1   0.116702D+01  0.118493D+02  0.309695D+01 -0.717174D-01  0.387829D+01
      2   0.309397D+01  0.301628D+01  0.362085D+01 -0.136771D+02  0.115724D+01
      3   0.907653D+01  0.165431D+00 -0.621343D+00  0.591730D+01 -0.154394D+02
               201           202           203           204           205 
      1   0.926834D-02  0.113139D+01  0.190018D+01 -0.383975D+01  0.289517D+01
      2   0.194563D+01 -0.106356D+01  0.280170D+01 -0.647913D+01 -0.211576D+02
      3  -0.198138D+01 -0.809602D+01  0.106351D+01 -0.364071D+01 -0.370864D+01
               206           207           208           209           210 
      1   0.395868D+01  0.687954D+00  0.182514D+01  0.517906D+01  0.149606D+01
      2  -0.121389D+02 -0.576718D+01  0.151991D-01  0.444761D+01  0.100578D+02
      3  -0.476290D+01  0.546311D+01 -0.159690D+02 -0.347038D+02 -0.603883D+01
               211           212           213           214           215 
      1   0.662560D+00  0.161088D+01 -0.663155D+01 -0.283089D+01  0.348696D+00
      2   0.199837D+01  0.258472D+01 -0.782291D+01 -0.521794D+01  0.453201D+01
      3   0.241372D+01 -0.747395D+01 -0.285892D+01 -0.245337D+01 -0.485549D+01
               216           217           218           219           220 
      1  -0.144177D+01 -0.235226D+01 -0.112096D+01  0.152393D+01  0.733888D+00
      2   0.250775D+00 -0.690261D+01 -0.309108D+01  0.756295D+01 -0.450141D+01
      3  -0.239187D+01  0.312076D+02 -0.104810D+02  0.699855D+01 -0.196382D+01
               221           222           223           224           225 
      1  -0.915060D+00  0.782665D+01 -0.982120D+01  0.874503D+01  0.488729D+01
      2  -0.726870D+01  0.326401D+02 -0.709829D+01  0.209460D+02  0.160365D+02
      3  -0.177132D+02  0.888951D+01  0.557349D+01  0.627717D+01 -0.268077D+02
               226           227           228           229           230 
      1   0.528757D+00 -0.474745D+00  0.170480D+01  0.372796D+00  0.110401D+00
      2   0.113675D+01 -0.946977D+00  0.273004D+00 -0.107658D+01  0.312718D+01
      3  -0.862914D+01  0.760958D+01  0.479237D+00  0.685185D+01 -0.200660D+02
               231           232           233           234           235 
      1  -0.452068D+01 -0.991180D+00  0.181739D+01 -0.552870D+00 -0.142972D+01
      2   0.601628D+00 -0.844293D-01  0.491319D+00  0.196286D+00  0.190489D+01
      3  -0.308912D+01 -0.736774D-01 -0.256749D+01 -0.253575D-01  0.671266D+00
               236           237           238           239           240 
      1  -0.169463D+00 -0.260767D+01 -0.798921D+00  0.176472D-01 -0.350982D+01
      2   0.173934D+01  0.352173D+01  0.262058D+01  0.314132D+01  0.458913D+01
      3  -0.592219D+01 -0.528948D+00 -0.625346D+01 -0.133250D+02 -0.252168D+01
               241           242           243           244           245 
      1   0.258178D+01  0.117300D+01 -0.310276D+00  0.420737D+00 -0.473251D+00
      2  -0.248156D+01  0.169664D+01  0.123009D+01  0.531090D+00 -0.638561D+00
      3  -0.933700D+00 -0.252864D+01 -0.186228D+01  0.146446D+01 -0.222695D+01
               246           247           248           249           250 
      1   0.844971D+00 -0.696004D+00  0.355758D+00 -0.306178D+01  0.466732D+00
      2   0.553215D+00 -0.586895D+00 -0.144678D+01 -0.230416D+01 -0.166978D+01
      3  -0.981995D-02 -0.594182D+00  0.149839D+02  0.209575D+01 -0.139149D+00
               251           252           253           254           255 
      1   0.150034D+01 -0.822367D-01  0.146414D+01  0.605222D+00  0.126893D+01
      2   0.975215D+00 -0.163929D+00  0.530646D+01  0.103788D+00  0.941181D+01
      3   0.289939D+01 -0.229365D+00 -0.129566D+02 -0.869787D+01 -0.160129D+01
               256           257           258           259           260 
      1   0.288984D+00  0.470649D+00 -0.696439D+00  0.188288D+01  0.786243D-01
      2   0.815702D+00  0.142298D+01  0.986285D-01  0.774629D+01 -0.182079D+01
      3  -0.643749D+01 -0.331211D+01 -0.192643D+01 -0.184859D+01 -0.246967D+01
               261           262           263           264           265 
      1   0.106974D+00 -0.755896D+00  0.144110D+00 -0.112169D+01  0.653485D+00
      2   0.174614D+01 -0.679412D+01  0.127603D+01 -0.250357D+01  0.512063D+01
      3   0.129953D+01  0.701792D+00  0.242143D+01  0.445733D+00 -0.438918D+01
               266           267           268           269           270 
      1  -0.178877D+01 -0.391741D+01  0.369777D+01 -0.951569D+00 -0.970388D+01
      2  -0.810064D+01 -0.122620D+02  0.912801D+01 -0.127754D+02 -0.338228D+02
      3   0.127516D+02  0.911671D+01 -0.617222D+01  0.118805D+02  0.160058D+02
               271           272           273           274           275 
      1   0.127118D+00 -0.125634D+00 -0.231498D+01 -0.312213D+00  0.798207D+00
      2   0.560447D+01  0.226165D+01 -0.575976D+01 -0.244719D+01  0.123842D+02
      3   0.168014D+01  0.695537D+01 -0.463476D+01 -0.428897D+01  0.259304D+02
               276           277           278           279 
      1  -0.433570D+01  0.156497D+01 -0.940030D+00  0.495236D+01
      2  -0.148019D+02  0.295110D+01 -0.140715D+02  0.181585D+02
      3  -0.154718D+02  0.286164D+01 -0.155549D+02  0.176719D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.734018D+02 -0.331689D+02 -0.105647D+02  0.812808D+02 -0.329776D+00
      2   0.392208D+02  0.214065D+02  0.861236D+01 -0.365700D+02  0.116569D+02
      3   0.341810D+02  0.117624D+02  0.195236D+01 -0.447108D+02 -0.113272D+02
      4  -0.904840D+01  0.166976D+02  0.349411D+01  0.113438D+02  0.234545D+02
      5  -0.853040D+01  0.121246D+01 -0.380138D+01  0.437854D-02  0.207788D+01
      6  -0.117024D+01  0.477104D+01 -0.101122D+01 -0.211782D+01 -0.593084D-01
                 6             7             8             9            10 
      1   0.103554D+02  0.571420D+01 -0.213308D+01 -0.868554D+01  0.899468D+02
      2  -0.173436D+01 -0.229370D+00  0.374464D+01  0.129726D+00 -0.364652D+02
      3  -0.862105D+01 -0.548483D+01 -0.161156D+01  0.855581D+01 -0.534816D+02
      4   0.565744D+01  0.111892D+01  0.466233D+01  0.274525D+01 -0.288214D+02
      5  -0.355963D+01 -0.160861D+00  0.175835D+01 -0.328576D+01  0.330616D+01
      6  -0.540336D+00 -0.286721D+01  0.507784D+01 -0.237207D+01 -0.542268D+00
                11            12            13            14            15 
      1  -0.191778D+02  0.724201D+01 -0.823128D+02 -0.297837D+02 -0.123668D+02
      2   0.148159D+02 -0.204469D+00  0.317786D+02  0.188095D+02  0.859401D+01
      3   0.436189D+01 -0.703754D+01  0.505342D+02  0.109743D+02  0.377283D+01
      4   0.139581D+02  0.247910D+01 -0.306903D+02 -0.182721D+02 -0.470409D+01
      5   0.375825D+01 -0.112985D+02 -0.362459D+01 -0.936437D+00  0.120672D+01
      6   0.170235D+01 -0.347249D+00 -0.121226D+01  0.530131D+01 -0.166677D+01
                16            17            18            19            20 
      1  -0.344113D+01 -0.613394D+01 -0.715620D+01  0.400193D+02  0.408556D+02
      2   0.340275D+01  0.363712D+01 -0.134344D+01 -0.218337D+02 -0.276554D+02
      3   0.383825D-01  0.249681D+01  0.849964D+01 -0.181857D+02 -0.132002D+02
      4  -0.879300D+01 -0.152602D+01 -0.455181D+01  0.148901D+02 -0.207203D+02
      5   0.151049D+01 -0.236065D+01 -0.482830D+01  0.618276D+01  0.145005D+01
      6  -0.265998D+01  0.497833D+01 -0.151812D+01  0.205088D+01 -0.931850D+01
                21            22            23            24            25 
      1   0.141797D+02 -0.124825D+02  0.204268D+02  0.919659D+01  0.227811D+01
      2  -0.823799D+01  0.194012D+02 -0.226793D+02 -0.517727D+01  0.444271D+01
      3  -0.594173D+01 -0.691863D+01  0.225251D+01 -0.401932D+01 -0.672082D+01
      4  -0.116454D+01  0.106965D+02 -0.832154D+00  0.183633D+01  0.756091D+01
      5   0.797997D+00  0.359997D+01  0.231310D+01 -0.457661D+01  0.896636D+01
      6  -0.691326D+00  0.592103D+01 -0.965109D+01  0.495557D+01  0.670219D+00
                26            27            28            29            30 
      1   0.166793D+02 -0.410459D+01  0.188860D+02  0.544778D+01 -0.701470D+01
      2  -0.105711D+02 -0.517306D+01 -0.247522D+02 -0.168300D+01  0.211447D+01
      3  -0.610821D+01  0.927764D+01  0.586617D+01 -0.376479D+01  0.490023D+01
      4   0.406202D+00 -0.440453D+01  0.114099D+02  0.124759D+02  0.175375D+01
      5  -0.716883D+01 -0.459910D+01 -0.470194D+01  0.221809D+01  0.702004D+01
      6   0.779442D+01 -0.345462D+01 -0.430070D+01  0.343853D+01  0.141767D+01
                31            32            33            34            35 
      1  -0.221396D+02 -0.566624D+02 -0.124207D+02 -0.128000D+02 -0.121241D+02
      2   0.150302D+02  0.462300D+02  0.136169D+02 -0.586458D+00  0.897546D+01
      3   0.710932D+01  0.104324D+02 -0.119615D+01  0.133865D+02  0.314862D+01
      4  -0.348707D+02  0.171761D+02  0.450464D+01 -0.105230D+02  0.615337D+01
      5  -0.125896D+02  0.826156D+00 -0.616057D+00  0.207232D+02  0.476440D+01
      6  -0.337765D+01  0.153525D+02 -0.321613D+00 -0.129212D+01  0.720872D+01
                36            37            38            39            40 
      1  -0.742349D+01 -0.103261D+02 -0.624522D+02 -0.141385D+02  0.274347D+02
      2  -0.574447D+01  0.403215D+01  0.440144D+02  0.385960D+01 -0.248083D+02
      3   0.131680D+02  0.629391D+01  0.184379D+02  0.102789D+02 -0.262633D+01
      4   0.218458D+01 -0.265253D+02  0.191112D+01 -0.486638D+01  0.212600D+02
      5   0.250454D+01 -0.165925D+01 -0.772620D+01  0.154648D+01  0.127449D+01
      6  -0.169779D+01 -0.725796D+01  0.789539D+01  0.107998D+02 -0.571702D+01
                41            42            43            44            45 
      1   0.327507D+02  0.765709D+01 -0.148624D+01 -0.494660D+01 -0.170491D+02
      2  -0.285867D+02 -0.873754D+01 -0.117090D+02 -0.414190D+01 -0.219291D+01
      3  -0.416394D+01  0.108046D+01  0.131953D+02  0.908849D+01  0.192420D+02
      4  -0.218829D+02 -0.636170D+01 -0.931175D+01 -0.776496D+01  0.434852D+01
      5  -0.452923D+01  0.525619D+01  0.129691D+02  0.434291D+01  0.605264D+01
      6  -0.129482D+02 -0.383937D+00  0.146357D+02  0.994506D+01  0.760251D+01
                46            47            48            49            50 
      1   0.166574D+02  0.529001D+02  0.167538D+02 -0.134502D+02  0.106154D+02
      2  -0.110810D+02 -0.337958D+02 -0.439203D+01  0.124530D+02 -0.154075D+02
      3  -0.557647D+01 -0.191044D+02 -0.123617D+02  0.997125D+00  0.479211D+01
      4   0.287261D+02 -0.139917D+02  0.318142D+00  0.177956D+02  0.102571D+02
      5  -0.422929D+01 -0.256448D+00  0.160851D+01 -0.337327D+00  0.202790D+01
      6   0.242611D+01 -0.113598D+02 -0.113204D+02  0.459988D+01 -0.867653D+01
                51            52            53            54            55 
      1   0.406689D+01  0.203036D+01  0.108486D+02 -0.191269D+02 -0.232139D+02
      2  -0.717010D+01  0.256620D+01 -0.180324D+02  0.582506D+01  0.459009D+01
      3   0.310321D+01 -0.459656D+01  0.718378D+01  0.133018D+02  0.186238D+02
      4   0.359820D+01  0.647770D+01 -0.160573D+01 -0.279945D+01 -0.880857D+01
      5   0.344988D+00  0.456922D+01 -0.116945D+01 -0.448875D+01  0.451178D+01
      6   0.642073D+01 -0.472051D+01  0.164886D+02  0.481246D+01  0.226317D+01
                56            57            58            59            60 
      1   0.384549D+02  0.810432D+01 -0.664274D+01  0.174119D+02  0.637152D+01
      2  -0.315668D+02 -0.269757D+01  0.680226D+01 -0.205634D+02 -0.745202D+01
      3  -0.688805D+01 -0.540675D+01 -0.159512D+00  0.315149D+01  0.108050D+01
      4  -0.535523D+02 -0.768599D+01  0.143491D+02  0.655787D+01 -0.110678D+01
      5  -0.365785D+01 -0.100553D+02  0.420056D+01 -0.106257D+01  0.554086D+01
      6  -0.576276D+01 -0.130131D+02  0.341903D+01 -0.879847D+01  0.770486D+01
                61            62            63            64            65 
      1  -0.162113D+01  0.119557D+02 -0.249513D+02  0.201198D+01  0.392699D+00
      2   0.203574D+01 -0.163967D+02  0.104565D+02  0.205290D+01 -0.250176D+01
      3  -0.414609D+00  0.444098D+01  0.144948D+02 -0.406487D+01  0.210906D+01
      4   0.119176D+01 -0.119334D+02  0.698334D+01 -0.932746D+01  0.993660D+01
      5  -0.115240D+01  0.112915D+02 -0.146290D+01  0.208396D+01 -0.906095D+00
      6  -0.496177D+01  0.195007D+02  0.336546D+00 -0.153152D+01  0.141036D+01
                66            67            68            69            70 
      1   0.679467D+00  0.390612D+01 -0.189330D+02 -0.864590D+00  0.285302D+01
      2  -0.244902D+00 -0.835572D+01  0.260154D+02  0.722153D+00 -0.214485D+01
      3  -0.434565D+00  0.444960D+01 -0.708239D+01  0.142437D+00 -0.708164D+00
      4  -0.372368D-01  0.138310D+02 -0.192570D+02 -0.687827D+00  0.661398D+00
      5   0.108257D+01 -0.595405D+00 -0.536922D+00 -0.246719D+01  0.601309D+00
      6  -0.971367D+00  0.161386D+01 -0.235564D+01  0.467301D+01 -0.210147D+01
                71            72            73            74            75 
      1  -0.303035D+01 -0.292783D+01  0.147484D+01 -0.508297D+01 -0.211668D+01
      2   0.305212D+01  0.302400D+01  0.495543D+01  0.103455D+02  0.158317D+01
      3  -0.217626D-01 -0.961731D-01 -0.643027D+01 -0.526254D+01  0.533508D+00
      4  -0.209848D+01 -0.133995D+01  0.217101D+02  0.204757D+02  0.550011D+01
      5  -0.400728D+00 -0.251559D+00  0.831170D+01  0.585439D+01  0.519795D+01
      6   0.222306D+01  0.101853D+01  0.743383D+01  0.749806D+01  0.479687D+01
                76            77            78            79            80 
      1  -0.946758D+01 -0.199717D+02 -0.637811D+01 -0.914506D+00 -0.435465D+01
      2   0.157141D+02  0.289792D+02  0.551358D+01  0.392091D+01  0.525803D+01
      3  -0.624655D+01 -0.900748D+01  0.864525D+00 -0.300640D+01 -0.903376D+00
      4   0.229437D+02  0.287087D+02  0.691170D+01  0.707127D+01  0.694311D+01
      5   0.634801D+01  0.727622D+01  0.495697D+01  0.229694D+01  0.362467D+01
      6   0.993536D+01  0.143084D+02  0.869600D+01  0.152230D+01  0.566065D+01
                81            82            83            84            85 
      1  -0.189653D+01 -0.479545D+01  0.959784D+01  0.112419D+01  0.856033D+01
      2   0.247001D+01  0.799539D+01 -0.141259D+02 -0.112301D+01 -0.108667D+02
      3  -0.573479D+00 -0.319994D+01  0.452807D+01 -0.118505D-02  0.230633D+01
      4   0.443006D+01 -0.772642D+01  0.146256D+02  0.211108D+01  0.963795D+01
      5   0.237477D+01 -0.255172D+01  0.370890D+01  0.262928D+01  0.257202D+01
      6   0.342956D+01  0.263102D+01 -0.353785D+01 -0.271784D+01 -0.365260D+01
                86            87            88            89            90 
      1  -0.435487D+02 -0.747950D+01  0.101685D+01 -0.639823D+01 -0.241324D+01
      2   0.573732D+02  0.690171D+01 -0.160354D+01  0.738063D+01  0.264747D+01
      3  -0.138245D+02  0.577788D+00  0.586686D+00 -0.982398D+00 -0.234226D+00
      4  -0.200343D+02 -0.300024D+01  0.156172D+01 -0.105248D+01 -0.243350D+01
      5  -0.627546D+01 -0.257356D+01  0.146538D+01 -0.257399D+01 -0.741646D+00
      6   0.155134D+02  0.918251D+01 -0.246667D+00  0.539268D+01  0.233006D+01
                91            92            93            94            95 
      1  -0.279941D+02 -0.171552D+02  0.120995D+02 -0.100542D+02 -0.459009D+01
      2   0.228491D+02  0.148547D+02 -0.634649D+01  0.112471D+02  0.370176D+01
      3   0.514496D+01  0.230048D+01 -0.575305D+01 -0.119289D+01  0.888335D+00
      4  -0.192449D+02 -0.163853D+02  0.311636D+01 -0.268503D+02  0.133675D+02
      5   0.148060D+02  0.254755D+01 -0.237385D+02 -0.562147D+00 -0.264445D+02
      6   0.757055D+00 -0.515327D+01 -0.152128D+00 -0.753327D+01  0.249776D+01
                96            97            98            99           100 
      1  -0.231913D+01  0.273074D+02  0.561890D+01 -0.179804D+02 -0.671971D+02
      2   0.608508D+01 -0.188940D+02  0.871703D+00  0.129172D+02  0.394976D+02
      3  -0.376595D+01 -0.841336D+01 -0.649060D+01  0.506323D+01  0.276995D+02
      4  -0.266811D+02  0.700744D+01 -0.203387D+02 -0.153690D+02  0.202181D+02
      5  -0.750012D+01 -0.385698D+02 -0.157367D+02 -0.120315D+01 -0.301141D+02
      6  -0.927810D+01 -0.689830D+01 -0.343348D+01 -0.693364D+01  0.446384D+01
               101           102           103           104           105 
      1   0.203855D+02 -0.281758D+02 -0.124980D+01  0.110781D+02 -0.306499D+01
      2  -0.147874D+02  0.846835D+01 -0.345401D+01 -0.782745D+01 -0.149868D+02
      3  -0.559808D+01  0.197074D+02  0.470380D+01 -0.325068D+01  0.180517D+02
      4   0.171352D+02 -0.383004D+01  0.219022D+02 -0.149891D+02  0.269598D+02
      5  -0.501750D+01  0.200484D+02 -0.791782D+01  0.274296D+02  0.118683D+02
      6   0.624912D+01 -0.123710D+02  0.919645D+01 -0.118351D+02 -0.452216D+01
               106           107           108           109           110 
      1  -0.199738D+02 -0.681321D+01  0.366596D+02 -0.805506D+02 -0.162442D+02
      2   0.901898D+01 -0.117912D+02 -0.170651D+02  0.288787D+02 -0.630588D+00
      3   0.109548D+02  0.186044D+02 -0.195945D+02  0.516719D+02  0.168748D+02
      4  -0.578262D+01  0.178559D+02  0.154160D+02 -0.303067D+02 -0.233081D+02
      5   0.133577D+02  0.196353D+02 -0.119450D+02  0.119649D+02  0.605580D+01
      6  -0.723586D+01 -0.934670D+01  0.146503D+02  0.145422D+01  0.290740D+01
               111           112           113           114           115 
      1   0.564154D+01 -0.175013D+02 -0.988085D+01  0.331102D+01 -0.367531D+02
      2  -0.424344D+00  0.300394D+01  0.561832D+01 -0.418842D+00  0.269984D+02
      3  -0.521720D+01  0.144973D+02  0.426253D+01 -0.289218D+01  0.975473D+01
      4   0.385613D+01  0.523676D+01 -0.117960D+02  0.214121D+01 -0.415939D+01
      5  -0.526173D+01  0.409431D+01  0.323773D+01 -0.134134D+00  0.293721D+02
      6  -0.226530D+01  0.410368D+01  0.982813D+00  0.301152D+01  0.904604D+01
               116           117           118           119           120 
      1  -0.314582D+01  0.229374D+02  0.110504D+02  0.823077D+01  0.541878D+01
      2   0.414701D+01 -0.686082D+01 -0.884910D+01 -0.591322D+01 -0.511734D+01
      3  -0.100119D+01 -0.160765D+02 -0.220128D+01 -0.231754D+01 -0.301439D+00
      4  -0.545060D+00  0.610094D+01  0.144809D+02  0.120142D+02  0.458428D+01
      5   0.614796D+01 -0.503880D+01  0.139916D+02  0.555331D+01  0.160912D+02
      6  -0.973687D+00  0.113952D+01  0.556341D+01  0.286824D+01  0.303509D+01
               121           122           123           124           125 
      1   0.166017D+02  0.737431D+00 -0.776641D+00  0.743692D+01 -0.142170D+01
      2  -0.107854D+02 -0.480439D+00 -0.236389D+01 -0.816152D+01 -0.342738D+01
      3  -0.581629D+01 -0.256992D+00  0.314053D+01  0.724604D+00  0.484908D+01
      4   0.161463D+02  0.196661D+02  0.160324D+02  0.635271D+01  0.159663D+02
      5   0.111678D+02  0.163521D+02  0.153506D+02  0.227262D+02  0.144093D+02
      6   0.489041D+01  0.988227D+01  0.100899D+02  0.532566D+01  0.861044D+01
               126           127           128           129           130 
      1  -0.301492D+00 -0.594871D+01 -0.100286D+02  0.202738D+02 -0.236699D+01
      2  -0.103973D+02  0.191923D-01  0.605964D+01 -0.472524D+01  0.118799D+01
      3   0.106988D+02  0.592952D+01  0.396894D+01 -0.155486D+02  0.117900D+01
      4   0.145209D+02  0.112306D+00 -0.582815D+01  0.192297D+01  0.761736D+00
      5   0.290299D+02  0.511359D+01  0.414839D+01 -0.905781D+01 -0.678977D+00
      6   0.998261D+01 -0.419577D+01 -0.615141D+01  0.100219D+02 -0.137858D+01
               131           132           133           134           135 
      1  -0.125364D+02  0.114601D+02  0.131025D+02  0.140382D+02 -0.372081D+02
      2   0.765775D+01 -0.426095D+01 -0.515894D+01 -0.373716D+01 -0.829902D+00
      3   0.487866D+01 -0.719916D+01 -0.794354D+01 -0.103010D+02  0.380380D+02
      4  -0.771263D+01  0.636269D+01 -0.636968D+01  0.119801D+02 -0.146847D+02
      5   0.624703D+01 -0.108210D+02  0.482957D+01 -0.176700D+02  0.410211D+02
      6  -0.923483D+01  0.139354D+02  0.681909D+00  0.164659D+02 -0.284515D+02
               136           137           138           139           140 
      1   0.268456D+01 -0.798418D+01 -0.138803D+01 -0.678063D+01 -0.138709D+02
      2   0.120038D+01  0.637449D+01  0.235373D+01  0.155803D+01  0.276730D+02
      3  -0.388494D+01  0.160970D+01 -0.965700D+00  0.522260D+01 -0.138021D+02
      4  -0.458360D+01 -0.154870D+01  0.167600D+01  0.860490D+01 -0.298206D+02
      5  -0.203925D+01 -0.919039D-01 -0.356083D+01  0.221683D+00 -0.134331D+02
      6   0.174287D+01 -0.693410D+00  0.274629D+01 -0.558674D+00  0.418222D+01
               141           142           143           144           145 
      1  -0.416314D+01 -0.603791D+01 -0.436156D+01 -0.937750D+01  0.105819D+03
      2   0.119805D+02  0.185358D+01  0.146442D+02  0.107220D+02 -0.562317D+02
      3  -0.781735D+01  0.418433D+01 -0.102826D+02 -0.134453D+01 -0.495871D+02
      4  -0.121998D+02  0.931042D+01 -0.221274D+02 -0.113032D+02 -0.445154D+02
      5  -0.127508D+02 -0.558670D+00 -0.125626D+02 -0.161392D+02  0.401053D+02
      6   0.779854D+01  0.667664D+00  0.666003D+01  0.746892D+01 -0.879309D+01
               146           147           148           149           150 
      1  -0.157178D+02  0.158970D+02 -0.394430D+01  0.843327D+01 -0.215265D+00
      2   0.490749D+01 -0.111287D+02 -0.138933D+01 -0.261655D+01  0.654046D+00
      3   0.108103D+02 -0.476829D+01  0.533363D+01 -0.581672D+01 -0.438781D+00
      4   0.204995D+02 -0.859817D+01  0.140568D+02 -0.489254D+01  0.210408D+00
      5  -0.797739D+01  0.193368D+02 -0.702414D+00  0.172155D+01 -0.996704D+00
      6   0.465742D+01 -0.489196D+01  0.307511D+01 -0.229024D+00  0.218944D+01
               151           152           153           154           155 
      1   0.111974D+02 -0.904571D+00  0.702167D+01  0.187989D+03  0.323944D+02
      2  -0.897940D+01  0.221760D+01 -0.619420D+01 -0.855715D+02 -0.906864D+01
      3  -0.221802D+01 -0.131303D+01 -0.827472D+00 -0.102417D+03 -0.233258D+02
      4  -0.437020D+01  0.356497D+00 -0.597632D+01  0.514340D+02  0.447118D+02
      5   0.181256D+02 -0.501940D+01  0.103775D+02 -0.336001D+02 -0.865489D+01
      6  -0.378752D+01  0.301583D+01 -0.334067D+01 -0.149078D+01 -0.438250D+01
               156           157           158           159           160 
      1  -0.822614D+01  0.294030D+02  0.343213D+02  0.434889D-01 -0.896765D+01
      2   0.883464D+01 -0.549928D+01 -0.798905D+01  0.398898D+00  0.939374D+01
      3  -0.608499D+00 -0.239037D+02 -0.263323D+02 -0.442387D+00 -0.426082D+00
      4  -0.599810D+01  0.534539D+02  0.367960D+02 -0.482080D+01 -0.558900D+01
      5   0.354267D+02 -0.547458D+01 -0.845889D+01  0.751297D+01  0.388510D+02
      6   0.317407D+01 -0.848776D+01 -0.494707D+01  0.595573D+01  0.482880D+01
               161           162           163           164           165 
      1  -0.135908D+01  0.230800D+02  0.481259D+02  0.945713D+01 -0.185918D+02
      2   0.143942D+01 -0.149844D+02 -0.325525D+02 -0.404570D+01  0.110144D+02
      3  -0.803436D-01 -0.809566D+01 -0.155735D+02 -0.541144D+01  0.757744D+01
      4  -0.254267D+01  0.951195D+01  0.142342D+02  0.753646D+01 -0.126525D+01
      5   0.946510D+01 -0.970492D+01 -0.326122D+02 -0.162736D+01  0.184135D+02
      6   0.536402D+01 -0.238390D+01 -0.559879D+01 -0.120566D+01  0.781489D+00
               166           167           168           169           170 
      1   0.146088D+02 -0.940493D+01  0.923691D+00  0.212451D+01  0.311471D+01
      2  -0.829879D+01  0.271423D+01 -0.118101D+01  0.180556D+01 -0.186203D+01
      3  -0.630998D+01  0.669070D+01  0.257318D+00 -0.393007D+01 -0.125268D+01
      4   0.455664D+01 -0.181677D+01 -0.941597D+01  0.154130D+01 -0.415393D+01
      5  -0.584741D+01 -0.885506D+01  0.612886D+00  0.121264D+02  0.927069D+00
      6  -0.226112D+01 -0.184773D+01  0.114347D+02 -0.126616D+01  0.967967D+01
               171           172           173           174           175 
      1  -0.312023D+02 -0.481873D+02 -0.473094D+01 -0.152892D+01 -0.125404D+02
      2  -0.114821D+02  0.293246D+02  0.278326D+01 -0.672473D+01  0.863053D+01
      3   0.426843D+02  0.188627D+02  0.194768D+01  0.825365D+01  0.390987D+01
      4  -0.106618D+01 -0.105607D+02 -0.461045D+01  0.118483D+01 -0.156341D+01
      5  -0.375249D+02  0.248645D+02  0.182404D+01 -0.153208D+02  0.571394D+01
      6  -0.241855D+01  0.475799D+01  0.311634D+01 -0.131771D+01  0.158612D+01
               176           177           178           179           180 
      1  -0.429835D+01 -0.505653D-01  0.137436D+02  0.193467D+01 -0.885444D+01
      2   0.279785D+01 -0.212603D+01 -0.130529D+02 -0.164923D+01  0.538250D+01
      3   0.150049D+01  0.217660D+01 -0.690700D+00 -0.285435D+00  0.347194D+01
      4  -0.637257D+00 -0.185826D+01  0.515177D+01  0.806752D+00 -0.193008D+01
      5  -0.151302D+01 -0.445903D+01 -0.132241D+02 -0.118706D+01  0.506964D+01
      6   0.110258D+01  0.209765D+01 -0.193960D+01  0.437257D+00  0.135414D+01
               181           182           183           184           185 
      1   0.321854D+02 -0.544611D+02 -0.800624D+01  0.399103D+02  0.233967D+02
      2  -0.162136D+02  0.429792D+02  0.217934D+01 -0.292630D+02 -0.237106D+02
      3  -0.159718D+02  0.114819D+02  0.582690D+01 -0.106473D+02  0.313956D+00
      4  -0.989329D+01  0.376644D+02 -0.224670D+01  0.105416D+02 -0.320842D+02
      5  -0.936058D+01 -0.435704D+01  0.128533D+02 -0.223523D+01 -0.115751D+02
      6  -0.753670D+01 -0.634063D+00  0.122002D+02 -0.739236D+01 -0.992614D+01
               186           187           188           189           190 
      1   0.562610D+01  0.483242D+01 -0.650397D+01  0.512964D+00  0.136082D+03
      2  -0.674553D+01 -0.129408D+02 -0.191702D+01 -0.846577D+01 -0.734221D+02
      3   0.111943D+01  0.810841D+01  0.842099D+01  0.795281D+01 -0.626602D+02
      4  -0.108447D+02 -0.112501D+02 -0.107161D+02  0.190975D+02  0.205890D+01
      5   0.798777D+01  0.301434D+02  0.163538D+02  0.117139D+02  0.588480D+00
      6   0.201644D+01  0.203432D+02  0.133626D+02  0.625678D+01 -0.322566D+01
               191           192           193           194           195 
      1   0.126102D+02  0.117734D+02  0.567161D+02 -0.429789D+02 -0.628002D+01
      2   0.128816D+01 -0.343262D+01 -0.229495D+02  0.440654D+02  0.122496D+02
      3  -0.138983D+02 -0.834079D+01 -0.337665D+02 -0.108653D+01 -0.596960D+01
      4   0.168425D+02  0.869901D+00 -0.434007D+02  0.581155D+02  0.461909D+01
      5   0.209829D+01  0.109672D+02 -0.125178D+02  0.758189D+01  0.300735D+01
      6   0.128082D+00  0.276474D+01 -0.334980D+01  0.908353D+01 -0.640490D+01
               196           197           198           199           200 
      1   0.150695D+02 -0.113872D+02  0.209969D+02 -0.111951D+03  0.205094D+02
      2  -0.827288D+01  0.103502D+02 -0.187000D+02  0.471761D+02 -0.206076D+02
      3  -0.679666D+01  0.103698D+01 -0.229692D+01  0.647746D+02  0.982097D-01
      4  -0.166365D+02  0.979079D+01  0.338955D+01  0.284468D+02 -0.304621D+02
      5   0.456670D+02  0.911665D+01  0.781864D+01 -0.507314D+01 -0.261479D+01
      6   0.128040D+01  0.664506D+01 -0.345280D+01  0.237888D+01 -0.475221D+01
               201           202           203           204           205 
      1  -0.606211D+01 -0.909322D+02  0.100590D+02 -0.272453D+01 -0.292748D+02
      2   0.124941D+01  0.562857D+02 -0.185594D+02 -0.128216D+01  0.172208D+02
      3   0.481270D+01  0.346465D+02  0.850046D+01  0.400669D+01  0.120539D+02
      4  -0.103811D+01  0.210837D+02 -0.188875D+02  0.384316D+01  0.889791D+01
      5   0.521071D+01 -0.146860D+01  0.241221D+01 -0.138150D+02  0.419198D+01
      6  -0.142725D+00  0.616971D+01 -0.741362D+01  0.840663D+01 -0.824219D+00
               206           207           208           209           210 
      1   0.103034D+02 -0.139594D+02  0.118102D+02  0.554485D+01 -0.867938D+00
      2  -0.993913D+01 -0.416426D+01 -0.831014D+01 -0.440630D+01 -0.165642D+01
      3  -0.364296D+00  0.181236D+02 -0.350010D+01 -0.113855D+01  0.252436D+01
      4  -0.931269D+00 -0.162366D+02  0.172940D+02  0.991006D+01  0.863050D-01
      5  -0.205457D+02 -0.113249D+02  0.661730D+01 -0.995574D+00  0.178338D+02
      6   0.816199D+01 -0.977471D+00  0.108277D+01  0.220063D+01 -0.295849D+01
               211           212           213           214           215 
      1   0.164392D+02  0.218905D+01  0.476840D+01  0.225191D+01 -0.600247D+00
      2  -0.827025D+01 -0.203122D+00 -0.536830D+01 -0.342933D+01 -0.156461D+01
      3  -0.816893D+01 -0.198593D+01  0.599900D+00  0.117742D+01  0.216486D+01
      4   0.255748D+02  0.194343D+02  0.636592D+01  0.382990D+01  0.246353D+01
      5   0.643236D+01  0.492442D+01 -0.143862D+02  0.123599D+02  0.451351D+01
      6   0.467650D+00 -0.141755D+01  0.113848D+02  0.125301D+01  0.385427D+01
               216           217           218           219           220 
      1   0.426455D+01 -0.983145D+02 -0.730987D+01 -0.176553D+02 -0.225671D+02
      2  -0.317273D+01  0.556308D+02  0.962006D+00  0.106580D+02  0.874229D+01
      3  -0.109182D+01  0.426837D+02  0.634786D+01  0.699736D+01  0.138248D+02
      4   0.589734D+01 -0.110179D+02  0.229375D+02 -0.387884D+01  0.152314D+01
      5   0.367089D+01 -0.172956D+02 -0.434654D+01  0.947985D+01 -0.101642D+02
      6   0.314225D+01  0.962589D+00  0.303058D+01 -0.411661D+01  0.983775D+00
               221           222           223           224           225 
      1   0.215993D+02 -0.169162D+02 -0.183735D+02 -0.103527D+02  0.151772D+02
      2  -0.126261D+02  0.126266D+02  0.768784D+01  0.868507D+01 -0.113131D+02
      3  -0.897319D+01  0.428960D+01  0.106857D+02  0.166763D+01 -0.386418D+01
      4   0.547143D+01 -0.147319D+02 -0.647363D+01 -0.898193D+01  0.371182D+02
      5  -0.148860D+02  0.620808D+02 -0.122520D+02  0.381693D+02  0.314523D+02
      6   0.733785D+01 -0.223471D+02  0.800339D+01 -0.152683D+02 -0.619723D+01
               226           227           228           229           230 
      1  -0.810125D+01  0.170832D+02  0.159364D+01  0.854047D+01 -0.514952D+02
      2   0.931357D+01 -0.189470D+02 -0.151886D+01 -0.936827D+01  0.652925D+02
      3  -0.121232D+01  0.186383D+01 -0.747829D-01  0.827796D+00 -0.137973D+02
      4  -0.206554D+01  0.498337D+01  0.752292D+00  0.260166D+01  0.126441D+02
      5  -0.816627D+00  0.133862D+01  0.119098D+01  0.316044D+00 -0.697127D+00
      6   0.825979D+00 -0.132532D+01 -0.258990D+01 -0.156113D+01  0.793461D+01
               231           232           233           234           235 
      1  -0.737148D+01  0.314832D+00 -0.681865D+01 -0.185434D+01  0.259917D+02
      2   0.720539D+01 -0.939834D+00  0.802802D+01  0.265737D+01 -0.362938D+01
      3   0.166093D+00  0.625001D+00 -0.120937D+01 -0.803033D+00 -0.223623D+02
      4   0.148864D+01 -0.115368D+00  0.276734D+01 -0.756626D+00  0.433259D+02
      5   0.127945D+01  0.207151D+01 -0.370390D+00  0.389494D+00  0.105491D+02
      6   0.810366D+01  0.423486D+00  0.426383D+01  0.192072D+01  0.645290D+01
               236           237           238           239           240 
      1   0.134132D+02  0.437155D+01  0.104181D+02  0.258672D+01  0.647925D+00
      2   0.365340D+01 -0.101538D+01  0.999497D+01  0.209634D+02  0.290526D+01
      3  -0.170666D+02 -0.335617D+01 -0.204131D+02 -0.235501D+02 -0.355319D+01
      4   0.380030D+02  0.987881D+01  0.448097D+02  0.547717D+02  0.123611D+02
      5   0.757180D+01  0.790310D+01  0.933890D+01  0.949569D+01  0.826297D+01
      6   0.554416D+01  0.488930D+01  0.785065D+01  0.978929D+01  0.768606D+01
               241           242           243           244           245 
      1   0.539508D+01  0.183537D+01 -0.252385D+00  0.124512D+02 -0.112403D+02
      2   0.139961D+01  0.324907D+01  0.186536D+01 -0.369448D+01  0.331258D+01
      3  -0.679469D+01 -0.508445D+01 -0.161297D+01 -0.875668D+01  0.792773D+01
      4   0.135819D+02  0.134823D+02  0.652027D+01 -0.187057D+02  0.150995D+02
      5   0.218536D+01  0.471696D+01  0.352974D+01 -0.214458D+01  0.119505D+01
      6   0.100847D+01  0.452971D+01  0.294560D+01  0.541646D+00  0.496507D-01
               246           247           248           249           250 
      1  -0.687410D+00 -0.128693D+02 -0.250734D+01 -0.104199D+01 -0.629831D+00
      2   0.257112D+00  0.342191D-01  0.153266D+02  0.793036D+00 -0.143535D-01
      3   0.430298D+00  0.128351D+02 -0.128192D+02  0.248954D+00  0.644184D+00
      4   0.551760D+00  0.263214D+02 -0.389860D+02 -0.392202D+01  0.253432D+01
      5   0.168994D+01  0.342410D+01 -0.640990D+01 -0.479533D+01  0.138711D+01
      6  -0.760760D+00 -0.132303D+01  0.307176D+01  0.446444D+01 -0.236747D+01
               251           252           253           254           255 
      1  -0.173071D+01 -0.149382D+01  0.205363D+03 -0.312687D+01  0.179794D+02
      2   0.229242D+01  0.212365D+01 -0.107678D+03 -0.448464D+00 -0.105097D+02
      3  -0.561711D+00 -0.629831D+00 -0.976847D+02  0.357534D+01 -0.746978D+01
      4  -0.546307D+01 -0.109590D+01 -0.206233D+02  0.158006D+02 -0.178393D+01
      5  -0.392337D+00 -0.601741D+00  0.201776D+02 -0.332412D+00  0.189358D+02
      6   0.181369D+01  0.120205D+01 -0.325269D+01  0.671009D+00 -0.228309D+01
               256           257           258           259           260 
      1   0.218603D+02  0.152842D+02  0.319242D+01  0.220473D+02  0.110701D+01
      2  -0.138894D+02 -0.766862D+01 -0.239697D+01 -0.130591D+02 -0.128906D+01
      3  -0.797085D+01 -0.761556D+01 -0.795448D+00 -0.898819D+01  0.182056D+00
      4   0.170566D+02  0.357148D+01  0.340065D+01 -0.199975D+01  0.384146D+01
      5   0.222702D+01  0.366846D+01  0.548750D+00  0.244169D+02 -0.349935D+01
      6   0.460129D+00 -0.544912D+00  0.169409D+01 -0.268395D+01  0.255169D+01
               261           262           263           264           265 
      1   0.167926D+02  0.868375D+01 -0.315798D+01 -0.102462D+02 -0.440295D+01
      2  -0.995917D+01 -0.492019D+01  0.225987D+01  0.428640D+01  0.449344D+00
      3  -0.683339D+01 -0.376356D+01  0.898111D+00  0.595979D+01  0.395361D+01
      4  -0.459146D+01 -0.121883D+01 -0.965233D+00  0.417977D+01  0.164587D+02
      5   0.508554D+01 -0.984564D+01  0.297531D+01 -0.219679D+01  0.121283D+02
      6  -0.480805D+00  0.293654D+01 -0.686638D+00  0.211845D+01 -0.421029D+01
               266           267           268           269           270 
      1   0.106351D+01  0.274356D+01 -0.302266D+02  0.777445D+01  0.592405D+00
      2   0.324034D+01  0.116637D+01  0.170331D+02 -0.218762D+01 -0.646059D+01
      3  -0.430386D+01 -0.390993D+01  0.131936D+02 -0.558682D+01  0.586819D+01
      4  -0.201038D+02 -0.159735D+02  0.230371D+02 -0.205652D+02 -0.238759D+02
      5  -0.163174D+02 -0.240307D+02  0.310391D+02 -0.244971D+02 -0.654629D+02
      6   0.643034D+01  0.108685D+02 -0.906184D+01  0.107213D+02  0.177907D+02
               271           272           273           274           275 
      1  -0.326152D+01 -0.560321D+01  0.124745D+02 -0.929294D+01 -0.802210D+01
      2   0.147308D+01  0.484881D+01 -0.613936D+01  0.208989D+01  0.145250D+02
      3   0.178844D+01  0.754403D+00 -0.633518D+01  0.720305D+01 -0.650287D+01
      4   0.262852D+01 -0.655492D+01  0.248849D+01  0.203193D+02 -0.400111D+02
      5   0.665176D+01  0.346260D+01 -0.934259D+01 -0.834771D+01  0.243388D+02
      6  -0.182953D+01 -0.317492D+01  0.517641D+01  0.511268D+01 -0.144745D+02
               276           277           278           279 
      1   0.846220D+01  0.216162D+02  0.370271D+01 -0.109031D+02
      2  -0.879682D+01 -0.977160D+01 -0.507347D+01  0.319568D+01
      3   0.334612D+00 -0.118446D+02  0.137076D+01  0.770742D+01
      4   0.252674D+02 -0.155144D+02  0.248704D+02 -0.258493D+02
      5  -0.283355D+02  0.154568D+02 -0.261061D+02  0.337651D+02
      6   0.143247D+02 -0.679912D+01  0.139061D+02 -0.152931D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 21:11:27 2021, MaxMem=  5368709120 cpu:           76888.9 elap:            9635.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51962 -19.51769 -19.45924 -10.57419 -10.51940
 Alpha  occ. eigenvalues --  -10.50133 -10.47060 -10.46973 -10.46957 -10.46485
 Alpha  occ. eigenvalues --  -10.46262 -10.46205 -10.46003 -10.45925 -10.45696
 Alpha  occ. eigenvalues --  -10.45335 -10.44551  -1.24670  -1.22516  -1.15613
 Alpha  occ. eigenvalues --   -1.04309  -0.99624  -0.95150  -0.92901  -0.90055
 Alpha  occ. eigenvalues --   -0.87505  -0.84876  -0.80193  -0.76882  -0.74896
 Alpha  occ. eigenvalues --   -0.74342  -0.72873  -0.67088  -0.66179  -0.65235
 Alpha  occ. eigenvalues --   -0.63455  -0.60938  -0.60111  -0.58976  -0.58377
 Alpha  occ. eigenvalues --   -0.57887  -0.56654  -0.55511  -0.55137  -0.53558
 Alpha  occ. eigenvalues --   -0.53283  -0.52906  -0.50936  -0.49806  -0.48851
 Alpha  occ. eigenvalues --   -0.48553  -0.48205  -0.46648  -0.45621  -0.44166
 Alpha  occ. eigenvalues --   -0.43197  -0.43026  -0.41026  -0.38346  -0.34132
 Alpha  occ. eigenvalues --   -0.31567
 Alpha virt. eigenvalues --   -0.01882  -0.01291  -0.00812  -0.00053   0.00291
 Alpha virt. eigenvalues --    0.00380   0.00876   0.01164   0.01551   0.01886
 Alpha virt. eigenvalues --    0.02236   0.03187   0.03555   0.04114   0.04291
 Alpha virt. eigenvalues --    0.04784   0.05048   0.05844   0.06103   0.06261
 Alpha virt. eigenvalues --    0.06771   0.07220   0.07987   0.08281   0.08606
 Alpha virt. eigenvalues --    0.08957   0.09367   0.09491   0.09963   0.10077
 Alpha virt. eigenvalues --    0.10667   0.11098   0.11333   0.11467   0.11650
 Alpha virt. eigenvalues --    0.12280   0.12490   0.12640   0.13062   0.13208
 Alpha virt. eigenvalues --    0.13425   0.14091   0.14232   0.14355   0.14586
 Alpha virt. eigenvalues --    0.15000   0.15140   0.16010   0.16269   0.17071
 Alpha virt. eigenvalues --    0.17503   0.17530   0.17887   0.18334   0.18897
 Alpha virt. eigenvalues --    0.19235   0.19646   0.20006   0.21112   0.21440
 Alpha virt. eigenvalues --    0.22266   0.22354   0.22728   0.23630   0.23807
 Alpha virt. eigenvalues --    0.24348   0.25034   0.25365   0.25881   0.26226
 Alpha virt. eigenvalues --    0.26354   0.26740   0.27026   0.27093   0.27538
 Alpha virt. eigenvalues --    0.27558   0.27886   0.28485   0.28579   0.29042
 Alpha virt. eigenvalues --    0.29379   0.29933   0.30024   0.30637   0.30926
 Alpha virt. eigenvalues --    0.31193   0.31443   0.31807   0.32424   0.33010
 Alpha virt. eigenvalues --    0.33117   0.33422   0.33699   0.33873   0.34625
 Alpha virt. eigenvalues --    0.34911   0.35050   0.35450   0.35725   0.36355
 Alpha virt. eigenvalues --    0.36587   0.37358   0.37492   0.37741   0.38101
 Alpha virt. eigenvalues --    0.38704   0.38868   0.39723   0.40436   0.40794
 Alpha virt. eigenvalues --    0.41355   0.41644   0.42352   0.42649   0.43205
 Alpha virt. eigenvalues --    0.43424   0.43704   0.43948   0.44597   0.45128
 Alpha virt. eigenvalues --    0.45270   0.45852   0.46464   0.47051   0.47313
 Alpha virt. eigenvalues --    0.48106   0.48324   0.48980   0.49247   0.49589
 Alpha virt. eigenvalues --    0.50761   0.51173   0.52091   0.52411   0.52620
 Alpha virt. eigenvalues --    0.53047   0.53650   0.53993   0.54533   0.55075
 Alpha virt. eigenvalues --    0.55222   0.55699   0.55938   0.56272   0.56750
 Alpha virt. eigenvalues --    0.56880   0.57869   0.58043   0.58562   0.58918
 Alpha virt. eigenvalues --    0.59388   0.59912   0.60293   0.60798   0.61066
 Alpha virt. eigenvalues --    0.61254   0.61929   0.62329   0.63155   0.63318
 Alpha virt. eigenvalues --    0.63633   0.63884   0.64117   0.64683   0.64977
 Alpha virt. eigenvalues --    0.65131   0.65674   0.65749   0.66479   0.66875
 Alpha virt. eigenvalues --    0.67401   0.67474   0.67748   0.68901   0.69418
 Alpha virt. eigenvalues --    0.69968   0.70405   0.70793   0.71263   0.71352
 Alpha virt. eigenvalues --    0.71919   0.72337   0.73472   0.73670   0.74059
 Alpha virt. eigenvalues --    0.74682   0.75404   0.75779   0.76171   0.76413
 Alpha virt. eigenvalues --    0.77179   0.78301   0.78821   0.79177   0.79914
 Alpha virt. eigenvalues --    0.80227   0.80489   0.80731   0.81762   0.81974
 Alpha virt. eigenvalues --    0.82532   0.82651   0.83217   0.83550   0.84535
 Alpha virt. eigenvalues --    0.84763   0.85380   0.86403   0.86609   0.86615
 Alpha virt. eigenvalues --    0.87298   0.88847   0.89181   0.89926   0.90612
 Alpha virt. eigenvalues --    0.90883   0.91020   0.91818   0.92039   0.92870
 Alpha virt. eigenvalues --    0.93636   0.93998   0.95158   0.96337   0.97170
 Alpha virt. eigenvalues --    0.97699   0.99015   0.99728   0.99735   1.00510
 Alpha virt. eigenvalues --    1.01115   1.03838   1.04050   1.04799   1.05732
 Alpha virt. eigenvalues --    1.07065   1.07336   1.08372   1.08746   1.10265
 Alpha virt. eigenvalues --    1.10925   1.11517   1.12282   1.13043   1.14412
 Alpha virt. eigenvalues --    1.15119   1.16595   1.17996   1.19544   1.21007
 Alpha virt. eigenvalues --    1.22201   1.22639   1.23123   1.23577   1.24345
 Alpha virt. eigenvalues --    1.25239   1.26415   1.27133   1.27643   1.28533
 Alpha virt. eigenvalues --    1.28710   1.30260   1.31393   1.33469   1.34271
 Alpha virt. eigenvalues --    1.35517   1.35925   1.36820   1.38369   1.39469
 Alpha virt. eigenvalues --    1.39833   1.41241   1.42337   1.42901   1.43454
 Alpha virt. eigenvalues --    1.44261   1.45881   1.46022   1.46797   1.47547
 Alpha virt. eigenvalues --    1.48470   1.48549   1.49261   1.49747   1.50129
 Alpha virt. eigenvalues --    1.52005   1.52669   1.53522   1.54300   1.54963
 Alpha virt. eigenvalues --    1.56620   1.57818   1.58226   1.58822   1.59519
 Alpha virt. eigenvalues --    1.59769   1.60860   1.61273   1.61661   1.63067
 Alpha virt. eigenvalues --    1.63695   1.65162   1.65625   1.65881   1.66738
 Alpha virt. eigenvalues --    1.68175   1.68257   1.69213   1.69600   1.70484
 Alpha virt. eigenvalues --    1.71427   1.71530   1.73265   1.73623   1.74791
 Alpha virt. eigenvalues --    1.75214   1.75724   1.76169   1.77233   1.78297
 Alpha virt. eigenvalues --    1.79444   1.80494   1.80767   1.81558   1.82049
 Alpha virt. eigenvalues --    1.83664   1.84120   1.85634   1.85966   1.86909
 Alpha virt. eigenvalues --    1.87699   1.88294   1.90004   1.91707   1.91828
 Alpha virt. eigenvalues --    1.92689   1.94528   1.94875   1.96023   1.96298
 Alpha virt. eigenvalues --    1.96557   1.96895   1.97986   1.99158   2.00218
 Alpha virt. eigenvalues --    2.01278   2.02088   2.03229   2.03678   2.04246
 Alpha virt. eigenvalues --    2.05458   2.05826   2.06043   2.07702   2.08155
 Alpha virt. eigenvalues --    2.09076   2.09562   2.10471   2.10845   2.12373
 Alpha virt. eigenvalues --    2.12562   2.13276   2.14673   2.15432   2.15662
 Alpha virt. eigenvalues --    2.16881   2.17804   2.18258   2.19813   2.20353
 Alpha virt. eigenvalues --    2.21197   2.22604   2.23161   2.24246   2.25054
 Alpha virt. eigenvalues --    2.26128   2.27386   2.28574   2.29806   2.30752
 Alpha virt. eigenvalues --    2.32267   2.33132   2.35410   2.36651   2.37148
 Alpha virt. eigenvalues --    2.38732   2.39811   2.40591   2.41449   2.42928
 Alpha virt. eigenvalues --    2.44011   2.45891   2.47012   2.49819   2.50189
 Alpha virt. eigenvalues --    2.50808   2.52675   2.55533   2.56627   2.57438
 Alpha virt. eigenvalues --    2.58819   2.60429   2.63426   2.64876   2.65752
 Alpha virt. eigenvalues --    2.68108   2.69197   2.69364   2.71205   2.74279
 Alpha virt. eigenvalues --    2.75092   2.77546   2.78861   2.82071   2.84276
 Alpha virt. eigenvalues --    2.85847   2.87306   2.89867   2.93748   2.94099
 Alpha virt. eigenvalues --    2.98525   3.01239   3.03807   3.08516   3.10610
 Alpha virt. eigenvalues --    3.11987   3.22245   3.32279   3.34581   3.38310
 Alpha virt. eigenvalues --    3.45052   3.46635   3.47120   3.48593   3.49656
 Alpha virt. eigenvalues --    3.50434   3.52657   3.54044   3.55816   3.57423
 Alpha virt. eigenvalues --    3.58182   3.59816   3.62407   3.69454   3.73068
 Alpha virt. eigenvalues --    3.78336   3.82583   3.85287   3.91567   4.06052
 Alpha virt. eigenvalues --    4.35723   4.63445
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   39.204266  -5.439875 -13.805222   2.636431  -2.870781   0.537116
     2  C   -5.439875  30.289949   4.479021  -3.111724   0.984269  -9.171157
     3  C  -13.805222   4.479021  42.223108 -12.419680  -2.988041   0.056890
     4  C    2.636431  -3.111724 -12.419680  27.361863  -9.101871  -0.276184
     5  C   -2.870781   0.984269  -2.988041  -9.101871  34.285841 -12.438449
     6  C    0.537116  -9.171157   0.056890  -0.276184 -12.438449  35.004200
     7  C  -16.987455   2.180687  -7.694325   2.815337  -3.534459   3.335185
     8  H    1.295677  -0.929750  -5.842073   1.832254   0.768737  -0.198913
     9  H   -0.034313  -0.306540   0.313441   0.924834  -3.125958   1.497391
    10  H   -0.624594   0.749703  -0.183631  -0.158364   2.266606  -3.642515
    11  C    0.667278  -0.695106  -2.147803  -1.819059  -3.190624  -0.218900
    12  C    0.023217   0.144677  -0.397392  -0.223011  -0.253505  -0.170051
    13  C    0.057115  -0.227900  -0.804859  -0.302814   0.095380  -0.005970
    14  H   -0.122928  -0.103568   0.203553  -0.217937   0.159092   0.175391
    15  H    0.072246  -0.040533  -0.040995  -0.598029  -0.027318   0.015577
    16  H   -0.042639  -0.009554   0.290359  -0.341826  -0.042573   0.029218
    17  H   -0.050559   0.043160  -0.076233   0.649304   0.012275  -0.044622
    18  O   -0.002049   0.011763   0.034779   0.034441   0.009149  -0.008937
    19  O   -0.008271   0.026579   0.048879  -0.064018   0.006442  -0.013893
    20  H    0.040224  -0.089756  -0.026342   0.024577  -0.124690   0.088881
    21  C    5.154805  -7.688921   0.681989  -0.393357   1.640339  -2.303034
    22  C   -7.426172   1.363087  -0.614209   0.740758   0.056661   1.133265
    23  C    2.990403  -7.261749   1.954592  -2.085109   3.492313  -8.529357
    24  O    0.123776  -0.056517  -0.015585   0.018512  -0.018385  -0.083175
    25  C   -0.324124   0.083916  -0.017531   0.003754   0.015977   0.052546
    26  H    1.922032  -0.425695   0.354302   0.003227  -0.008495  -0.117291
    27  H   -0.336142   0.244264  -0.118678   0.019222   0.016690   0.021703
    28  H   -0.458064   0.640728   0.021868  -0.047735   0.323073   0.190327
    29  H    0.025739  -0.110925  -0.000722  -0.001260   0.006812   0.010676
    30  H   -0.033061   0.087073  -0.001371   0.004137  -0.018988   0.003833
    31  H   -0.047376   0.084237   0.000722   0.002735  -0.012883   0.006009
               7          8          9         10         11         12
     1  C  -16.987455   1.295677  -0.034313  -0.624594   0.667278   0.023217
     2  C    2.180687  -0.929750  -0.306540   0.749703  -0.695106   0.144677
     3  C   -7.694325  -5.842073   0.313441  -0.183631  -2.147803  -0.397392
     4  C    2.815337   1.832254   0.924834  -0.158364  -1.819059  -0.223011
     5  C   -3.534459   0.768737  -3.125958   2.266606  -3.190624  -0.253505
     6  C    3.335185  -0.198913   1.497391  -3.642515  -0.218900  -0.170051
     7  C   45.972224   0.788059   0.077981  -0.171330  -0.098756   0.009675
     8  H    0.788059   4.098176  -0.029146   0.005996   0.128813   0.124732
     9  H    0.077981  -0.029146   2.939313  -0.211310  -0.034371   0.025081
    10  H   -0.171330   0.005996  -0.211310   2.699326   0.068034   0.005237
    11  C   -0.098756   0.128813  -0.034371   0.068034  16.325570  -0.111336
    12  C    0.009675   0.124732   0.025081   0.005237  -0.111336   5.502779
    13  C    0.113229   0.156707  -0.011498   0.004023  -1.290089  -0.016686
    14  H    0.040487   0.009215  -0.010973   0.006372  -1.179006   0.048979
    15  H    0.014787  -0.064789   0.002077   0.000933   0.815483  -0.074416
    16  H   -0.009436  -0.092267  -0.002490   0.001775  -0.297802   0.488243
    17  H    0.000577   0.031564   0.003846  -0.000795  -0.214952  -0.045233
    18  O   -0.005489  -0.001894  -0.000858  -0.000042  -0.159261   0.063707
    19  O   -0.005670   0.002160   0.002862  -0.000561   0.084242   0.018363
    20  H    0.038272  -0.025198   0.006169  -0.001647  -0.005144  -0.029333
    21  C  -19.383015   0.342885   0.025093  -0.013024  -0.014018  -0.047803
    22  C    7.055895   0.021898  -0.020204   0.166055   0.028414   0.028477
    23  C   -7.385430  -0.134364  -0.175873   0.901516  -0.281739  -0.017838
    24  O   -0.277302   0.000746  -0.000194   0.001711  -0.000393  -0.000121
    25  C    0.493177   0.000373  -0.000191   0.011772   0.001277   0.000086
    26  H   -4.459413  -0.221612   0.004885  -0.006224   0.031594  -0.008396
    27  H    1.765508  -0.003802  -0.001057   0.005352   0.000122  -0.000186
    28  H   -0.252635   0.011914   0.004677  -0.138589  -0.002571  -0.000811
    29  H   -0.011607   0.000252   0.000153  -0.001311   0.000071  -0.000008
    30  H    0.046792  -0.000593  -0.000478   0.002865   0.000152   0.000016
    31  H    0.053116  -0.000596  -0.000319   0.002376  -0.000027   0.000095
              13         14         15         16         17         18
     1  C    0.057115  -0.122928   0.072246  -0.042639  -0.050559  -0.002049
     2  C   -0.227900  -0.103568  -0.040533  -0.009554   0.043160   0.011763
     3  C   -0.804859   0.203553  -0.040995   0.290359  -0.076233   0.034779
     4  C   -0.302814  -0.217937  -0.598029  -0.341826   0.649304   0.034441
     5  C    0.095380   0.159092  -0.027318  -0.042573   0.012275   0.009149
     6  C   -0.005970   0.175391   0.015577   0.029218  -0.044622  -0.008937
     7  C    0.113229   0.040487   0.014787  -0.009436   0.000577  -0.005489
     8  H    0.156707   0.009215  -0.064789  -0.092267   0.031564  -0.001894
     9  H   -0.011498  -0.010973   0.002077  -0.002490   0.003846  -0.000858
    10  H    0.004023   0.006372   0.000933   0.001775  -0.000795  -0.000042
    11  C   -1.290089  -1.179006   0.815483  -0.297802  -0.214952  -0.159261
    12  C   -0.016686   0.048979  -0.074416   0.488243  -0.045233   0.063707
    13  C    7.754497   0.111076   0.050285  -0.058482   0.013761   0.547348
    14  H    0.111076   2.145158  -0.028129   0.114138  -0.065928   0.047883
    15  H    0.050285  -0.028129   1.835596  -0.264001  -0.485032  -0.002447
    16  H   -0.058482   0.114138  -0.264001   1.746760  -0.484766   0.023986
    17  H    0.013761  -0.065928  -0.485032  -0.484766   1.948276  -0.021687
    18  O    0.547348   0.047883  -0.002447   0.023986  -0.021687   7.733523
    19  O   -0.055070   0.036792  -0.000268   0.035876  -0.017142  -0.059551
    20  H   -0.004833  -0.001819   0.002633  -0.000548   0.001165   0.000560
    21  C    0.047558  -0.002212  -0.014173  -0.010122   0.003026  -0.000530
    22  C   -0.020534   0.001114   0.006269   0.001360  -0.000850   0.000144
    23  C   -0.096958  -0.025845  -0.009896  -0.002928   0.002654   0.003077
    24  O    0.000063  -0.000054   0.000010  -0.000020  -0.000009   0.000000
    25  C   -0.000308   0.000095   0.000091  -0.000016  -0.000017   0.000001
    26  H   -0.004676  -0.003005   0.004290  -0.001477  -0.001127   0.000003
    27  H   -0.000024  -0.000013  -0.000399   0.000007   0.000188   0.000010
    28  H    0.001388  -0.000589  -0.000541  -0.000610   0.000322  -0.000006
    29  H   -0.000003  -0.000002   0.000004  -0.000003  -0.000002   0.000000
    30  H   -0.000062   0.000044   0.000014   0.000009  -0.000003  -0.000000
    31  H   -0.000068   0.000010   0.000013   0.000015   0.000001   0.000001
              19         20         21         22         23         24
     1  C   -0.008271   0.040224   5.154805  -7.426172   2.990403   0.123776
     2  C    0.026579  -0.089756  -7.688921   1.363087  -7.261749  -0.056517
     3  C    0.048879  -0.026342   0.681989  -0.614209   1.954592  -0.015585
     4  C   -0.064018   0.024577  -0.393357   0.740758  -2.085109   0.018512
     5  C    0.006442  -0.124690   1.640339   0.056661   3.492313  -0.018385
     6  C   -0.013893   0.088881  -2.303034   1.133265  -8.529357  -0.083175
     7  C   -0.005670   0.038272 -19.383015   7.055895  -7.385430  -0.277302
     8  H    0.002160  -0.025198   0.342885   0.021898  -0.134364   0.000746
     9  H    0.002862   0.006169   0.025093  -0.020204  -0.175873  -0.000194
    10  H   -0.000561  -0.001647  -0.013024   0.166055   0.901516   0.001711
    11  C    0.084242  -0.005144  -0.014018   0.028414  -0.281739  -0.000393
    12  C    0.018363  -0.029333  -0.047803   0.028477  -0.017838  -0.000121
    13  C   -0.055070  -0.004833   0.047558  -0.020534  -0.096958   0.000063
    14  H    0.036792  -0.001819  -0.002212   0.001114  -0.025845  -0.000054
    15  H   -0.000268   0.002633  -0.014173   0.006269  -0.009896   0.000010
    16  H    0.035876  -0.000548  -0.010122   0.001360  -0.002928  -0.000020
    17  H   -0.017142   0.001165   0.003026  -0.000850   0.002654  -0.000009
    18  O   -0.059551   0.000560  -0.000530   0.000144   0.003077   0.000000
    19  O    7.980328   0.178167  -0.003086   0.001456  -0.001886  -0.000021
    20  H    0.178167   0.770948  -0.002110   0.003728  -0.018969   0.000023
    21  C   -0.003086  -0.002110  34.718617  -8.628784   2.756294  -0.069559
    22  C    0.001456   0.003728  -8.628784  20.829353  -8.915596  -0.123171
    23  C   -0.001886  -0.018969   2.756294  -8.915596  29.160618   0.573389
    24  O   -0.000021   0.000023  -0.069559  -0.123171   0.573389   8.358932
    25  C   -0.000000  -0.000149  -0.593650   0.058922  -0.055281   0.239354
    26  H    0.000474   0.000924   2.513037  -0.751888   0.255184  -0.006253
    27  H   -0.000037  -0.000069  -2.954138   1.124884  -0.240815  -0.101170
    28  H    0.000057  -0.000368   0.637476   1.438408  -3.608644  -0.154248
    29  H    0.000005  -0.000025   0.012883   0.204270   0.051972  -0.331412
    30  H   -0.000010   0.000074  -0.053311  -0.063951  -0.028002   0.090844
    31  H   -0.000006  -0.000004  -0.045489  -0.044133  -0.052912   0.087571
              25         26         27         28         29         30
     1  C   -0.324124   1.922032  -0.336142  -0.458064   0.025739  -0.033061
     2  C    0.083916  -0.425695   0.244264   0.640728  -0.110925   0.087073
     3  C   -0.017531   0.354302  -0.118678   0.021868  -0.000722  -0.001371
     4  C    0.003754   0.003227   0.019222  -0.047735  -0.001260   0.004137
     5  C    0.015977  -0.008495   0.016690   0.323073   0.006812  -0.018988
     6  C    0.052546  -0.117291   0.021703   0.190327   0.010676   0.003833
     7  C    0.493177  -4.459413   1.765508  -0.252635  -0.011607   0.046792
     8  H    0.000373  -0.221612  -0.003802   0.011914   0.000252  -0.000593
     9  H   -0.000191   0.004885  -0.001057   0.004677   0.000153  -0.000478
    10  H    0.011772  -0.006224   0.005352  -0.138589  -0.001311   0.002865
    11  C    0.001277   0.031594   0.000122  -0.002571   0.000071   0.000152
    12  C    0.000086  -0.008396  -0.000186  -0.000811  -0.000008   0.000016
    13  C   -0.000308  -0.004676  -0.000024   0.001388  -0.000003  -0.000062
    14  H    0.000095  -0.003005  -0.000013  -0.000589  -0.000002   0.000044
    15  H    0.000091   0.004290  -0.000399  -0.000541   0.000004   0.000014
    16  H   -0.000016  -0.001477   0.000007  -0.000610  -0.000003   0.000009
    17  H   -0.000017  -0.001127   0.000188   0.000322  -0.000002  -0.000003
    18  O    0.000001   0.000003   0.000010  -0.000006   0.000000  -0.000000
    19  O   -0.000000   0.000474  -0.000037   0.000057   0.000005  -0.000010
    20  H   -0.000149   0.000924  -0.000069  -0.000368  -0.000025   0.000074
    21  C   -0.593650   2.513037  -2.954138   0.637476   0.012883  -0.053311
    22  C    0.058922  -0.751888   1.124884   1.438408   0.204270  -0.063951
    23  C   -0.055281   0.255184  -0.240815  -3.608644   0.051972  -0.028002
    24  O    0.239354  -0.006253  -0.101170  -0.154248  -0.331412   0.090844
    25  C    4.320651  -0.007055   0.038750  -0.092163   0.268312   0.322100
    26  H   -0.007055   2.884437  -0.150910   0.004914  -0.000183  -0.000508
    27  H    0.038750  -0.150910   2.395646  -0.031435  -0.006988   0.007995
    28  H   -0.092163   0.004914  -0.031435   3.595086   0.034266  -0.060328
    29  H    0.268312  -0.000183  -0.006988   0.034266   2.103424  -0.442856
    30  H    0.322100  -0.000508   0.007995  -0.060328  -0.442856   1.330674
    31  H    0.323394  -0.000384   0.008144  -0.055001  -0.444057  -0.102723
              31
     1  C   -0.047376
     2  C    0.084237
     3  C    0.000722
     4  C    0.002735
     5  C   -0.012883
     6  C    0.006009
     7  C    0.053116
     8  H   -0.000596
     9  H   -0.000319
    10  H    0.002376
    11  C   -0.000027
    12  C    0.000095
    13  C   -0.000068
    14  H    0.000010
    15  H    0.000013
    16  H    0.000015
    17  H    0.000001
    18  O    0.000001
    19  O   -0.000006
    20  H   -0.000004
    21  C   -0.045489
    22  C   -0.044133
    23  C   -0.052912
    24  O    0.087571
    25  C    0.323394
    26  H   -0.000384
    27  H    0.008144
    28  H   -0.055001
    29  H   -0.444057
    30  H   -0.102723
    31  H    1.331443
 Mulliken charges:
               1
     1  C   -0.136704
     2  C    0.256152
     3  C    2.531187
     4  C    0.090592
     5  C   -0.382641
     6  C    1.064238
     7  C    1.475333
     8  H   -1.075161
     9  H   -0.862028
    10  H   -0.745718
    11  C   -0.390096
    12  C    0.912762
    13  C   -0.051600
    14  H   -0.337392
    15  H   -0.169338
    16  H   -0.070188
    17  H   -0.201163
    18  O   -0.247624
    19  O   -0.193193
    20  H    0.174656
    21  C   -0.313667
    22  C   -1.654926
    23  C    2.787180
    24  O   -0.257342
    25  C    0.855935
    26  H   -0.804712
    27  H   -0.702621
    28  H   -1.000166
    29  H   -0.367474
    30  H   -0.090376
    31  H   -0.093906
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.136704
     2  C    0.256152
     3  C    1.456026
     4  C    0.090592
     5  C   -1.244669
     6  C    0.318520
     7  C    0.670621
    11  C   -0.727487
    12  C    0.472073
    13  C   -0.051600
    18  O   -0.247624
    19  O   -0.018536
    21  C   -1.016288
    22  C   -1.654926
    23  C    1.787014
    24  O   -0.257342
    25  C    0.304179
 Electronic spatial extent (au):  <R**2>=           5436.3098
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.4950    Y=              0.3430    Z=             -2.1147  Tot=              5.8978
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -115.8437   YY=            -90.3366   ZZ=           -105.5476
   XY=            -14.4440   XZ=             10.9888   YZ=              3.2968
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -11.9344   YY=             13.5727   ZZ=             -1.6383
   XY=            -14.4440   XZ=             10.9888   YZ=              3.2968
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            227.5072  YYY=              0.1121  ZZZ=              3.5425  XYY=             10.7199
  XXY=             -1.1946  XXZ=            -47.1396  XZZ=              3.1548  YZZ=             -0.2633
  YYZ=              1.1833  XYZ=             -5.2019
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6360.5951 YYYY=           -768.6510 ZZZZ=           -421.7342 XXXY=           -396.6093
 XXXZ=            208.6660 YYYX=             17.5316 YYYZ=             18.8237 ZZZX=             12.1812
 ZZZY=             -5.0327 XXYY=          -1072.8108 XXZZ=          -1110.2155 YYZZ=           -211.9650
 XXYZ=             27.9567 YYXZ=              8.4071 ZZXY=            -10.4376
 N-N= 1.136408158264D+03 E-N=-4.059325249259D+03  KE= 7.624629466313D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 21:11:27 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.14227647D+00 1.25065099D-01-7.66617786D-01
 Polarizability= 2.74091663D+02 6.13465605D+00 1.61835153D+02
                 1.39699954D+01 7.79260517D+00 1.11052563D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.6281   -7.6261        3.9919    3.9882
 2      7.6281    7.6261       -4.2020   -4.2055      -60.1221  -60.1003
 3     -3.9919   -3.9882       86.9534   86.9310        4.1946    4.2055
 4      4.2020    4.2055       -0.0000    0.0000       -3.9857   -3.9882
 5    -26.8313  -26.8307        3.9857    3.9882       -7.6284   -7.6261
 6     -4.1946   -4.2055        7.6284    7.6261       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       22.8783   22.8783       11.9647   11.9647
 2     12.6164   12.6164        0.0000    0.0000       11.9647   11.9647
 3     12.6164   12.6164       22.8783   22.8783        0.0000    0.0000
 4     22.8783   22.8783      -12.6164  -12.6164     -180.3009 -180.3009
 5    -11.9648  -11.9647      260.7930  260.7930       12.6164   12.6164
 6    -80.4921  -80.4921       11.9647   11.9647      -22.8783  -22.8783
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2676    0.0000       30.6339   30.5043      -15.0098  -15.9530
 2    -30.2084  -30.5043       16.4137   16.8218      240.0598  240.4012
 3     16.0299   15.9530     -347.6331 -347.7240      -17.0000  -16.8218
 4    -16.7883  -16.8218       -0.1713    0.0000       15.6535   15.9530
 5    107.5440  107.3228      -15.4467  -15.9530       30.7255   30.5043
 6     16.6394   16.8218      -30.7921  -30.5043       -0.2729    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0073    0.0000       39.2867   39.7559      -34.2395  -33.8468
 2    -40.3571  -39.7559      -70.9254  -70.7415      -35.8619  -35.9854
 3     32.5906   33.8468      -37.4366  -36.3450       69.1204   70.7415
 4     70.3049   70.7415        0.0930    0.0000       34.5384   33.8468
 5     71.8753   72.3304      -34.0099  -33.8468       40.3156   39.7559
 6    -70.6176  -70.7415      -39.5901  -39.7559        0.2047    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     38.8181   38.4565       47.0395   46.0477       49.9533   50.4563
 2    156.0770  156.4001       54.1596   53.5584       50.6420   50.4563
 3    156.0880  156.4001       46.7027   46.0477       83.8411   83.7994
 4     -8.3592   -7.5106     -119.1327 -117.9436      -53.7051  -52.9647
 5     32.5519   33.3431      -70.5531  -70.9151      116.6310  117.9436
 6    123.7286  123.8798      -33.2573  -33.3431        8.2775    7.5106
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9494   -0.0004    0.0006    0.0009    2.6919    3.8301
 Low frequencies ---   22.5785   40.0282   43.4220
 Diagonal vibrational polarizability:
       54.2745299     157.2293134      89.6418123
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.5745                40.0267                43.4213
 Red. masses --      4.6231                 7.2151                 5.8994
 Frc consts  --      0.0014                 0.0068                 0.0066
 IR Inten    --      3.5998                 2.3701                 1.0576
 RamAct Fr= 1--      3.8491                 1.7182                 1.3760
  Dep-P Fr= 1--      0.7492                 0.7390                 0.7432
  Dep-U Fr= 1--      0.8566                 0.8499                 0.8527
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0002
 Beta2  Fr= 1--      0.5495                 0.2434                 0.1956
 AlphaG Fr= 1--     -0.0004                -0.0040                 0.0056
 Gamma2 Fr= 1--     -2.5717                 2.2908                -1.7881
 Delta2 Fr= 1--     -1.7450                 1.5082                -0.5834
 Raman1 Fr= 1--      15.396                  6.873                  5.504
 ROA1   Fr= 1--    -302.724                268.178               -190.328
 CID1   Fr= 1--     -19.662                 39.021                -34.579
 Raman2 Fr= 1--       6.594                  2.921                  2.347
 ROA2   Fr= 1--     -47.761                 42.913                -38.247
 CID2   Fr= 1--      -7.243                 14.693                -16.298
 Raman3 Fr= 1--      13.188                  5.841                  4.693
 ROA3   Fr= 1--    -302.724                268.178               -190.328
 CID3   Fr= 1--     -22.954                 45.911                -40.552
 RC180  Fr= 1--       0.713                  0.700                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.06    -0.02   0.01  -0.08     0.01  -0.03   0.12
     2   6     0.01  -0.02  -0.05    -0.02   0.01  -0.11     0.01  -0.02   0.08
     3   6    -0.03  -0.07   0.06    -0.02   0.02  -0.08     0.01  -0.03   0.11
     4   6    -0.00  -0.07  -0.02    -0.02   0.02  -0.10     0.01  -0.02   0.07
     5   6     0.03  -0.04  -0.12    -0.02   0.03  -0.17     0.01  -0.02   0.07
     6   6     0.04  -0.02  -0.13    -0.02   0.03  -0.18     0.01  -0.02   0.08
     7   6    -0.05  -0.05   0.15    -0.02  -0.01  -0.01     0.01  -0.03   0.13
     8   1    -0.05  -0.09   0.14    -0.02   0.01  -0.05     0.01  -0.02   0.10
     9   1     0.06  -0.04  -0.19    -0.02   0.04  -0.20     0.01  -0.02   0.06
    10   1     0.07   0.01  -0.21    -0.02   0.04  -0.22     0.01  -0.02   0.06
    11   6    -0.00  -0.09  -0.00    -0.03   0.00  -0.00     0.02  -0.01  -0.02
    12   6    -0.01  -0.15  -0.20    -0.08   0.00   0.06     0.06  -0.00  -0.05
    13   6     0.01   0.09   0.06     0.11  -0.02   0.06    -0.05   0.01  -0.06
    14   1    -0.02  -0.19   0.10    -0.08   0.00   0.02     0.06  -0.01  -0.03
    15   1    -0.02  -0.29  -0.25    -0.15   0.02   0.03     0.13  -0.01  -0.02
    16   1     0.01  -0.04  -0.32    -0.03  -0.01   0.05     0.01  -0.00  -0.04
    17   1    -0.01  -0.16  -0.18    -0.09  -0.01   0.13     0.07   0.01  -0.13
    18   8    -0.03   0.23   0.13     0.19  -0.29   0.15     0.01  -0.21  -0.13
    19   8     0.07   0.08   0.02     0.11   0.32   0.02    -0.20   0.31   0.00
    20   1     0.09  -0.02  -0.03     0.06   0.45  -0.05    -0.21   0.40   0.06
    21   6    -0.05  -0.02   0.14    -0.03  -0.02   0.05     0.01  -0.02   0.07
    22   6    -0.01   0.01   0.03    -0.04  -0.02   0.04     0.02  -0.01  -0.00
    23   6     0.02   0.01  -0.06    -0.03  -0.00  -0.06     0.02  -0.01   0.02
    24   8    -0.01   0.03   0.03    -0.05  -0.05   0.13     0.03   0.01  -0.10
    25   6     0.02   0.06  -0.08    -0.06  -0.06   0.17     0.05   0.03  -0.26
    26   1    -0.08  -0.07   0.23    -0.02  -0.01   0.01     0.00  -0.04   0.17
    27   1    -0.07  -0.02   0.21    -0.03  -0.04   0.11     0.01  -0.02   0.07
    28   1     0.04   0.03  -0.14    -0.03  -0.00  -0.08     0.02  -0.00  -0.03
    29   1     0.02   0.08  -0.07    -0.07  -0.08   0.27     0.06   0.05  -0.35
    30   1     0.04   0.15  -0.12     0.02  -0.05   0.15    -0.04   0.11  -0.28
    31   1     0.05  -0.01  -0.15    -0.14  -0.06   0.13     0.15  -0.04  -0.28
                      4                      5                      6
                      A                      A                      A
 Frequencies --     93.6375               129.7645               139.6709
 Red. masses --      3.9517                 4.2292                 4.4268
 Frc consts  --      0.0204                 0.0420                 0.0509
 IR Inten    --      3.4199                 0.3147                 0.0590
 RamAct Fr= 1--      1.7687                 0.2196                 0.4045
  Dep-P Fr= 1--      0.7048                 0.5679                 0.3486
  Dep-U Fr= 1--      0.8268                 0.7244                 0.5170
 Alpha2 Fr= 1--      0.0014                 0.0008                 0.0036
 Beta2  Fr= 1--      0.2437                 0.0265                 0.0349
 AlphaG Fr= 1--     -0.0043                -0.0070                -0.0152
 Gamma2 Fr= 1--     -0.0705                 0.7663                -1.1332
 Delta2 Fr= 1--     -0.3546                 0.5148                -0.4468
 Raman1 Fr= 1--       7.075                  0.879                  1.618
 ROA1   Fr= 1--     -18.110                 90.040               -123.083
 CID1   Fr= 1--      -2.560                102.493                -76.062
 Raman2 Fr= 1--       2.925                  0.318                  0.418
 ROA2   Fr= 1--       1.146                 14.273                -23.622
 CID2   Fr= 1--       0.392                 44.856                -56.471
 Raman3 Fr= 1--       5.850                  0.636                  0.837
 ROA3   Fr= 1--     -18.110                 90.040               -123.083
 CID3   Fr= 1--      -3.096                141.490               -147.121
 RC180  Fr= 1--       0.654                  0.449                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.03     0.01  -0.07  -0.12     0.05   0.10  -0.09
     2   6     0.04   0.01  -0.09     0.03  -0.06  -0.10     0.04   0.10  -0.10
     3   6     0.00  -0.04   0.13     0.01  -0.08  -0.08     0.02   0.09  -0.01
     4   6     0.01  -0.03   0.09    -0.01  -0.09   0.00     0.02   0.06   0.09
     5   6     0.03  -0.01  -0.03     0.00  -0.09   0.00     0.03   0.06   0.07
     6   6     0.04   0.01  -0.12     0.02  -0.07  -0.07     0.04   0.09  -0.04
     7   6     0.01  -0.01   0.02    -0.03  -0.04  -0.12     0.09   0.07  -0.09
     8   1    -0.01  -0.05   0.21     0.03  -0.08  -0.10     0.01   0.08  -0.01
     9   1     0.04  -0.00  -0.07     0.00  -0.10   0.05     0.02   0.05   0.14
    10   1     0.05   0.03  -0.22     0.01  -0.07  -0.07     0.04   0.09  -0.06
    11   6     0.01  -0.02   0.06    -0.00   0.00   0.04     0.00  -0.05   0.07
    12   6     0.05  -0.02   0.03     0.12   0.09   0.18    -0.10  -0.14  -0.10
    13   6    -0.08   0.01   0.02    -0.05   0.03   0.02    -0.06  -0.03   0.05
    14   1     0.03  -0.02   0.05    -0.07   0.09  -0.01     0.09  -0.14   0.11
    15   1     0.11  -0.03   0.05     0.18   0.18   0.24    -0.14  -0.24  -0.15
    16   1     0.02  -0.02   0.04     0.13  -0.02   0.29    -0.14  -0.02  -0.20
    17   1     0.06  -0.00  -0.03     0.12   0.19   0.13    -0.10  -0.24  -0.08
    18   8    -0.08   0.01  -0.05    -0.07   0.07  -0.01    -0.06  -0.04  -0.02
    19   8    -0.16   0.04   0.07    -0.09   0.06   0.04    -0.13  -0.04   0.09
    20   1    -0.14   0.02   0.12    -0.08   0.01   0.07    -0.12  -0.02   0.14
    21   6     0.02   0.01  -0.07    -0.04  -0.02  -0.01     0.08   0.02  -0.00
    22   6     0.04   0.02  -0.13    -0.01  -0.01   0.05     0.05  -0.00   0.03
    23   6     0.05   0.03  -0.16     0.04  -0.03  -0.04     0.02   0.05  -0.08
    24   8     0.04   0.03  -0.12    -0.03   0.05   0.21     0.02  -0.11   0.20
    25   6     0.01  -0.03   0.26     0.11   0.15  -0.05    -0.03  -0.11  -0.09
    26   1    -0.00  -0.03   0.09    -0.06  -0.05  -0.16     0.13   0.09  -0.11
    27   1     0.02   0.01  -0.06    -0.07  -0.01   0.02     0.09  -0.00   0.04
    28   1     0.06   0.04  -0.22     0.08  -0.02  -0.01    -0.02   0.04  -0.08
    29   1    -0.01  -0.04   0.40     0.08   0.23   0.04    -0.03  -0.21   0.03
    30   1     0.17  -0.24   0.32     0.19   0.36  -0.15     0.01   0.18  -0.21
    31   1    -0.16   0.16   0.35     0.16  -0.06  -0.23    -0.11  -0.29  -0.31
                      7                      8                      9
                      A                      A                      A
 Frequencies --    185.7135               200.8183               221.2886
 Red. masses --      3.3060                 3.1800                 2.1956
 Frc consts  --      0.0672                 0.0756                 0.0633
 IR Inten    --      1.2762                 1.1281                 3.0200
 RamAct Fr= 1--      0.4585                 6.3360                 1.3605
  Dep-P Fr= 1--      0.2201                 0.3136                 0.7305
  Dep-U Fr= 1--      0.3608                 0.4775                 0.8442
 Alpha2 Fr= 1--      0.0059                 0.0624                 0.0005
 Beta2  Fr= 1--      0.0276                 0.5043                 0.1914
 AlphaG Fr= 1--     -0.0089                 0.0344                -0.0058
 Gamma2 Fr= 1--      1.2847                -0.9336                -0.1244
 Delta2 Fr= 1--      0.1231                -0.5320                 0.2588
 Raman1 Fr= 1--       1.834                 25.344                  5.442
 ROA1   Fr= 1--     127.268               -106.653                 -3.659
 CID1   Fr= 1--      69.401                 -4.208                 -0.672
 Raman2 Fr= 1--       0.331                  6.051                  2.297
 ROA2   Fr= 1--      29.847                -18.151                 -5.056
 CID2   Fr= 1--      90.225                 -3.000                 -2.201
 Raman3 Fr= 1--       0.662                 12.102                  4.595
 ROA3   Fr= 1--     127.268               -106.653                 -3.659
 CID3   Fr= 1--     192.361                 -8.812                 -0.796
 RC180  Fr= 1--      -0.278                 -0.045                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.08     0.02  -0.02  -0.03    -0.02  -0.03   0.08
     2   6     0.00   0.02  -0.10     0.00  -0.04  -0.01    -0.03  -0.03   0.02
     3   6     0.01   0.02  -0.12     0.02   0.05  -0.06    -0.02  -0.00   0.13
     4   6    -0.00  -0.01   0.01    -0.04   0.08  -0.02    -0.02   0.03   0.05
     5   6    -0.03  -0.05   0.22    -0.06   0.07   0.01    -0.05   0.02   0.02
     6   6    -0.02  -0.03   0.11    -0.06   0.01   0.01    -0.05  -0.01   0.03
     7   6    -0.03  -0.01   0.10     0.05  -0.06   0.03    -0.01  -0.01  -0.02
     8   1     0.02   0.03  -0.21     0.08   0.08  -0.07    -0.00  -0.00   0.18
     9   1    -0.06  -0.09   0.44    -0.08   0.08   0.04    -0.07   0.04  -0.00
    10   1    -0.03  -0.04   0.23    -0.13  -0.02   0.03    -0.08  -0.01   0.00
    11   6     0.01   0.01  -0.02    -0.06   0.05   0.00    -0.01   0.06  -0.01
    12   6     0.04   0.02  -0.01    -0.20  -0.01  -0.03     0.05   0.05  -0.11
    13   6     0.02   0.00  -0.02    -0.04   0.01   0.01     0.02   0.02  -0.00
    14   1     0.00   0.02  -0.03    -0.03   0.01   0.02     0.01   0.04   0.00
    15   1     0.07   0.03   0.00    -0.38  -0.07  -0.14     0.07  -0.06  -0.13
    16   1     0.02   0.01   0.00    -0.10   0.07  -0.14     0.08   0.10  -0.17
    17   1     0.04   0.04  -0.05    -0.22  -0.09   0.16     0.05   0.09  -0.12
    18   8     0.03  -0.00  -0.00    -0.03  -0.02   0.01     0.05  -0.06   0.01
    19   8     0.05  -0.01  -0.03    -0.03  -0.01   0.01     0.06  -0.04  -0.02
    20   1     0.04   0.00  -0.05    -0.04   0.02   0.01     0.04   0.01  -0.03
    21   6    -0.04  -0.02   0.18     0.03  -0.09   0.05    -0.00  -0.01  -0.11
    22   6    -0.01   0.02  -0.05     0.04  -0.08  -0.00    -0.02  -0.02  -0.05
    23   6     0.01   0.04  -0.21     0.02  -0.08  -0.01    -0.02  -0.02  -0.06
    24   8    -0.01   0.01  -0.04     0.05   0.02  -0.04    -0.03  -0.00   0.07
    25   6    -0.04  -0.01   0.03     0.25   0.11   0.06     0.05   0.05   0.00
    26   1    -0.05  -0.04   0.23     0.07  -0.05   0.06    -0.00  -0.01  -0.04
    27   1    -0.06  -0.06   0.38     0.04  -0.11   0.10     0.02  -0.00  -0.19
    28   1     0.03   0.07  -0.32     0.02  -0.08  -0.02    -0.01  -0.02  -0.09
    29   1    -0.06  -0.07   0.25     0.22   0.31   0.02    -0.02   0.04   0.47
    30   1     0.15   0.03  -0.02     0.29  -0.01   0.10     0.45   0.30  -0.16
    31   1    -0.22  -0.02  -0.07     0.39   0.12   0.14    -0.21  -0.15  -0.32
                     10                     11                     12
                      A                      A                      A
 Frequencies --    243.4690               259.8337               283.3964
 Red. masses --      1.8273                 1.1420                 2.3750
 Frc consts  --      0.0638                 0.0454                 0.1124
 IR Inten    --      1.8810                 1.2080                 2.1068
 RamAct Fr= 1--      0.9454                 0.3642                 1.0614
  Dep-P Fr= 1--      0.5485                 0.6553                 0.6726
  Dep-U Fr= 1--      0.7084                 0.7918                 0.8042
 Alpha2 Fr= 1--      0.0036                 0.0006                 0.0015
 Beta2  Fr= 1--      0.1116                 0.0481                 0.1423
 AlphaG Fr= 1--     -0.0199                -0.0072                 0.0042
 Gamma2 Fr= 1--      0.8443                -0.2415                 1.1171
 Delta2 Fr= 1--     -0.1385                 0.0394                 0.3131
 Raman1 Fr= 1--       3.782                  1.457                  4.245
 ROA1   Fr= 1--      76.623                -21.919                117.263
 CID1   Fr= 1--      20.262                -15.047                 27.621
 Raman2 Fr= 1--       1.339                  0.577                  1.707
 ROA2   Fr= 1--      21.372                 -6.110                 24.306
 CID2   Fr= 1--      15.956                -10.595                 14.237
 Raman3 Fr= 1--       2.679                  1.153                  3.414
 ROA3   Fr= 1--      76.623                -21.919                117.263
 CID3   Fr= 1--      28.603                -19.004                 34.344
 RC180  Fr= 1--       0.417                  0.584                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.01  -0.00    -0.01  -0.02   0.07
     2   6    -0.01  -0.00  -0.05     0.01  -0.01   0.02     0.01   0.00  -0.04
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.03    -0.01  -0.03   0.13
     4   6    -0.01   0.01   0.04     0.01  -0.01  -0.03    -0.00  -0.01   0.03
     5   6    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.00  -0.02   0.07
     6   6    -0.03   0.00  -0.04     0.01  -0.01   0.01     0.00  -0.01   0.04
     7   6    -0.01  -0.00  -0.02    -0.01  -0.00   0.01    -0.00  -0.00   0.01
     8   1     0.02   0.02   0.01     0.02  -0.01  -0.04    -0.02  -0.04   0.17
     9   1    -0.05   0.02   0.05     0.02  -0.01  -0.03    -0.00  -0.03   0.10
    10   1    -0.04   0.00  -0.06     0.02  -0.01   0.02     0.00  -0.02   0.05
    11   6     0.01   0.05   0.04     0.01   0.01   0.01     0.00  -0.01  -0.05
    12   6     0.13   0.05  -0.12     0.01   0.01   0.02    -0.08  -0.01   0.06
    13   6     0.00   0.02   0.04    -0.00   0.00   0.01     0.02  -0.00  -0.06
    14   1    -0.01   0.03   0.07    -0.03   0.02   0.02     0.02   0.01  -0.08
    15   1     0.10  -0.18  -0.20    -0.40  -0.21  -0.26    -0.37  -0.01  -0.08
    16   1     0.30   0.15  -0.27     0.48   0.10  -0.22     0.14  -0.01  -0.01
    17   1     0.12   0.17  -0.04    -0.06   0.14   0.54    -0.12  -0.01   0.39
    18   8     0.03  -0.07   0.01    -0.00   0.00  -0.02     0.01   0.04  -0.03
    19   8    -0.01  -0.06   0.06    -0.03  -0.00   0.02     0.06   0.05  -0.10
    20   1    -0.02   0.01   0.09    -0.03   0.00   0.05     0.06   0.00  -0.15
    21   6    -0.02  -0.01   0.02    -0.01   0.01   0.01     0.01   0.02  -0.08
    22   6    -0.03  -0.01   0.01     0.00   0.02   0.01     0.01   0.02  -0.05
    23   6    -0.02  -0.01  -0.02     0.01   0.01   0.03     0.02   0.03  -0.13
    24   8    -0.03   0.01   0.02     0.00   0.01  -0.03    -0.01  -0.02   0.12
    25   6    -0.00   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.01
    26   1    -0.02  -0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.02
    27   1    -0.02  -0.02   0.05    -0.01   0.02   0.01     0.01   0.03  -0.11
    28   1    -0.02  -0.02   0.01     0.02   0.01   0.02     0.03   0.03  -0.13
    29   1     0.05   0.13  -0.43    -0.05  -0.08   0.17     0.04   0.05  -0.41
    30   1    -0.35  -0.18   0.15     0.09   0.06  -0.06    -0.36  -0.11   0.10
    31   1     0.32   0.14   0.29    -0.19  -0.04  -0.11     0.28   0.05   0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    327.1611               356.2157               390.3588
 Red. masses --      4.9297                 4.3577                 5.2102
 Frc consts  --      0.3109                 0.3258                 0.4678
 IR Inten    --      7.2956                 6.8560                 3.0661
 RamAct Fr= 1--      9.2267                 2.2599                 1.9518
  Dep-P Fr= 1--      0.2637                 0.0880                 0.1276
  Dep-U Fr= 1--      0.4174                 0.1617                 0.2264
 Alpha2 Fr= 1--      0.1052                 0.0407                 0.0319
 Beta2  Fr= 1--      0.6418                 0.0609                 0.0736
 AlphaG Fr= 1--     -0.0420                 0.0627                 0.0603
 Gamma2 Fr= 1--     -2.1435                 0.7944                 0.5898
 Delta2 Fr= 1--     -0.2601                 0.1067                 0.2716
 Raman1 Fr= 1--      36.907                  9.039                  7.807
 ROA1   Fr= 1--    -214.103                 79.679                 65.315
 CID1   Fr= 1--      -5.801                  8.815                  8.366
 Raman2 Fr= 1--       7.702                  0.731                  0.884
 ROA2   Fr= 1--     -49.364                 18.212                 11.983
 CID2   Fr= 1--      -6.410                 24.919                 13.560
 Raman3 Fr= 1--      15.403                  1.462                  1.767
 ROA3   Fr= 1--    -214.103                 79.679                 65.315
 CID3   Fr= 1--     -13.900                 54.513                 36.955
 RC180  Fr= 1--      -0.165                 -0.677                 -0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.01     0.08  -0.15  -0.00     0.06  -0.02  -0.10
     2   6     0.00   0.10   0.02     0.12  -0.12  -0.00     0.03  -0.04  -0.10
     3   6    -0.08  -0.01  -0.02     0.07  -0.08  -0.00     0.05   0.03   0.13
     4   6    -0.09  -0.06  -0.01    -0.03   0.01  -0.02     0.01   0.03   0.26
     5   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.03   0.03   0.17
     6   6     0.03   0.08   0.01     0.02  -0.07   0.00    -0.00   0.01  -0.21
     7   6     0.04   0.05   0.01     0.00  -0.09  -0.01     0.03  -0.00  -0.13
     8   1    -0.12  -0.03  -0.03     0.16  -0.04   0.02     0.11   0.05   0.13
     9   1     0.09  -0.08   0.00     0.01  -0.01  -0.01    -0.08   0.07   0.22
    10   1     0.08   0.10   0.01    -0.08  -0.11  -0.00    -0.04   0.02  -0.40
    11   6    -0.15  -0.07  -0.07    -0.09   0.14  -0.01     0.02  -0.02   0.02
    12   6     0.14   0.05  -0.01    -0.14   0.14  -0.10    -0.01  -0.04   0.03
    13   6    -0.17  -0.06  -0.03    -0.09   0.05   0.02    -0.03  -0.02  -0.07
    14   1    -0.15   0.01  -0.14    -0.10   0.14  -0.01     0.19  -0.01  -0.06
    15   1     0.16  -0.07  -0.05    -0.04   0.14  -0.05    -0.11  -0.05  -0.02
    16   1     0.43  -0.03  -0.03    -0.30   0.19  -0.10     0.05  -0.03  -0.00
    17   1     0.13   0.38   0.08    -0.12   0.04  -0.25    -0.02  -0.06   0.14
    18   8    -0.17  -0.08   0.23    -0.05  -0.07   0.11    -0.04  -0.00   0.01
    19   8     0.02   0.01  -0.17    -0.02  -0.04  -0.02     0.09   0.05  -0.17
    20   1    -0.01  -0.00  -0.35    -0.05   0.05  -0.05     0.08  -0.00  -0.31
    21   6     0.06   0.01   0.01     0.02   0.07   0.00    -0.02  -0.04   0.11
    22   6     0.08   0.00   0.01     0.09   0.10   0.02    -0.05  -0.04   0.15
    23   6     0.01   0.06   0.02     0.16   0.03   0.01    -0.01  -0.08   0.15
    24   8     0.10  -0.06  -0.00     0.10   0.10   0.04    -0.03   0.07  -0.12
    25   6     0.13  -0.07   0.00    -0.15  -0.02  -0.02    -0.08   0.05  -0.01
    26   1     0.11   0.07   0.03    -0.10  -0.13  -0.02     0.01   0.00  -0.24
    27   1     0.04   0.02   0.01    -0.06   0.14  -0.00     0.00  -0.06   0.12
    28   1    -0.04   0.04   0.01     0.24   0.06   0.02     0.01  -0.07   0.17
    29   1     0.12  -0.04   0.02    -0.10  -0.27  -0.08    -0.09  -0.01   0.14
    30   1     0.15  -0.07   0.00    -0.31   0.04  -0.02     0.03   0.05  -0.03
    31   1     0.14  -0.08   0.00    -0.28   0.04  -0.02    -0.22   0.08  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.0827               432.8226               486.7677
 Red. masses --      3.2995                 4.8306                 2.5623
 Frc consts  --      0.3317                 0.5332                 0.3577
 IR Inten    --      0.1190                 2.2460                14.5409
 RamAct Fr= 1--      2.8665                 2.2530                 0.1012
  Dep-P Fr= 1--      0.7481                 0.1698                 0.5299
  Dep-U Fr= 1--      0.8559                 0.2903                 0.6927
 Alpha2 Fr= 1--      0.0001                 0.0331                 0.0004
 Beta2  Fr= 1--      0.4089                 0.1090                 0.0117
 AlphaG Fr= 1--      0.0035                 0.0731                 0.0012
 Gamma2 Fr= 1--     -0.8516                 0.3664                -0.0743
 Delta2 Fr= 1--      0.0776                -0.1338                -0.0556
 Raman1 Fr= 1--      11.466                  9.012                  0.405
 ROA1   Fr= 1--     -79.273                 30.897                 -8.916
 CID1   Fr= 1--      -6.914                  3.428                -22.017
 Raman2 Fr= 1--       4.907                  1.308                  0.140
 ROA2   Fr= 1--     -21.060                  9.864                 -1.339
 CID2   Fr= 1--      -4.292                  7.540                 -9.544
 Raman3 Fr= 1--       9.814                  2.617                  0.281
 ROA3   Fr= 1--     -79.273                 30.897                 -8.916
 CID3   Fr= 1--      -8.077                 11.808                -31.783
 RC180  Fr= 1--       0.712                 -0.419                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.08     0.09  -0.03   0.02    -0.02  -0.03   0.21
     2   6     0.00   0.00  -0.04     0.02  -0.08   0.05    -0.02  -0.03   0.19
     3   6     0.02   0.03  -0.16     0.12   0.13  -0.05     0.02   0.02  -0.11
     4   6     0.00   0.00   0.03     0.07   0.16  -0.05     0.00  -0.01   0.03
     5   6    -0.02  -0.02   0.14     0.02   0.17  -0.09     0.01  -0.01   0.05
     6   6     0.02   0.03  -0.18    -0.04  -0.01   0.10     0.02   0.02  -0.09
     7   6    -0.03  -0.04   0.23     0.06  -0.03   0.06     0.02   0.02  -0.10
     8   1     0.06   0.07  -0.39     0.24   0.17  -0.02     0.05   0.07  -0.44
     9   1    -0.04  -0.04   0.29    -0.06   0.25  -0.16     0.02  -0.00  -0.04
    10   1     0.04   0.06  -0.35    -0.16  -0.07   0.16     0.07   0.08  -0.40
    11   6     0.00  -0.00   0.00     0.03  -0.11  -0.02     0.00   0.01  -0.00
    12   6     0.00  -0.01   0.00     0.12  -0.12   0.04    -0.00   0.01  -0.00
    13   6    -0.00   0.00  -0.00    -0.06  -0.10  -0.01    -0.00   0.00   0.00
    14   1     0.01  -0.00   0.00     0.15  -0.12  -0.07    -0.00   0.01  -0.00
    15   1    -0.00  -0.00   0.00     0.17  -0.12   0.07    -0.02   0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.23  -0.20   0.09    -0.02   0.01   0.00
    17   1     0.00  -0.01   0.00     0.12   0.04   0.04    -0.00  -0.01   0.00
    18   8    -0.00   0.00  -0.00    -0.10  -0.00   0.11    -0.00  -0.00   0.01
    19   8     0.00  -0.00  -0.00    -0.04   0.03  -0.05    -0.00  -0.01  -0.00
    20   1    -0.01   0.04  -0.01    -0.02  -0.09  -0.11    -0.03   0.09   0.01
    21   6     0.02   0.03  -0.19     0.03  -0.06  -0.04    -0.01  -0.02   0.05
    22   6     0.01   0.01  -0.08    -0.05  -0.05  -0.09    -0.02  -0.02   0.07
    23   6    -0.01  -0.03   0.11     0.03  -0.12  -0.09     0.01   0.01  -0.13
    24   8    -0.01  -0.01   0.05    -0.10   0.09   0.05    -0.01   0.00  -0.01
    25   6    -0.01   0.00   0.00    -0.15   0.11   0.01    -0.01   0.01   0.00
    26   1    -0.05  -0.08   0.44     0.05  -0.05   0.12     0.06   0.09  -0.44
    27   1     0.04   0.05  -0.31     0.11  -0.14  -0.01     0.03   0.00  -0.12
    28   1    -0.04  -0.06   0.33     0.03  -0.11  -0.09     0.05   0.08  -0.49
    29   1    -0.01   0.00   0.01    -0.13   0.04  -0.06    -0.00   0.02  -0.04
    30   1    -0.01   0.05  -0.02    -0.24   0.14   0.01    -0.02  -0.03   0.02
    31   1     0.00  -0.03  -0.03    -0.15   0.12   0.01     0.02   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.7943               527.4974               536.9044
 Red. masses --      4.5387                 4.5959                 5.9579
 Frc consts  --      0.6494                 0.7535                 1.0119
 IR Inten    --      6.9562                 9.0823                 0.1917
 RamAct Fr= 1--      1.1707                 6.2097                10.7036
  Dep-P Fr= 1--      0.6012                 0.1630                 0.4358
  Dep-U Fr= 1--      0.7509                 0.2804                 0.6070
 Alpha2 Fr= 1--      0.0032                 0.0929                 0.0694
 Beta2  Fr= 1--      0.1465                 0.2902                 1.0829
 AlphaG Fr= 1--     -0.0095                -0.0438                 0.0714
 Gamma2 Fr= 1--     -0.6367                -0.2776                -0.3437
 Delta2 Fr= 1--     -0.0483                 0.5629                -0.2704
 Raman1 Fr= 1--       4.683                 24.839                 42.814
 ROA1   Fr= 1--     -62.670                 -8.640                -41.650
 CID1   Fr= 1--     -13.384                 -0.348                 -0.973
 Raman2 Fr= 1--       1.758                  3.482                 12.995
 ROA2   Fr= 1--     -14.894                -11.166                 -6.086
 CID2   Fr= 1--      -8.471                 -3.207                 -0.468
 Raman3 Fr= 1--       3.516                  6.964                 25.990
 ROA3   Fr= 1--     -62.670                 -8.640                -41.650
 CID3   Fr= 1--     -17.822                 -1.241                 -1.603
 RC180  Fr= 1--       0.502                 -0.439                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.11  -0.00     0.11  -0.05  -0.01     0.12   0.09   0.04
     2   6    -0.04  -0.09   0.01    -0.03  -0.11   0.02    -0.13  -0.01  -0.02
     3   6    -0.05   0.07  -0.02     0.15   0.00  -0.02     0.06  -0.12  -0.01
     4   6    -0.08   0.11   0.01     0.10   0.03   0.05    -0.03  -0.11  -0.03
     5   6    -0.16   0.12   0.00    -0.00  -0.01  -0.05    -0.25  -0.19  -0.06
     6   6    -0.17  -0.03  -0.04    -0.03  -0.14  -0.00    -0.23  -0.06  -0.04
     7   6    -0.07  -0.11  -0.04    -0.02   0.07   0.02     0.28   0.10   0.05
     8   1     0.07   0.12  -0.03     0.19   0.02  -0.04    -0.07  -0.16  -0.03
     9   1    -0.25   0.19  -0.01    -0.09   0.08  -0.13    -0.29  -0.17  -0.05
    10   1    -0.33  -0.09  -0.10    -0.05  -0.14  -0.03    -0.15  -0.03  -0.03
    11   6    -0.02  -0.10   0.01     0.07   0.04   0.03    -0.02  -0.02   0.01
    12   6     0.10  -0.13   0.05    -0.01   0.00  -0.00     0.00  -0.03   0.01
    13   6     0.05  -0.04   0.00    -0.05  -0.02  -0.01     0.01   0.00   0.01
    14   1     0.02  -0.15   0.04     0.16   0.05  -0.03    -0.07  -0.01   0.03
    15   1     0.18  -0.16   0.08    -0.06   0.01  -0.03     0.02  -0.04   0.01
    16   1     0.21  -0.20   0.09    -0.08   0.05  -0.03     0.00  -0.03   0.00
    17   1     0.10   0.04   0.03    -0.01  -0.11   0.01     0.00  -0.02  -0.01
    18   8     0.03   0.04  -0.08    -0.05  -0.02   0.07     0.01   0.00  -0.03
    19   8     0.03   0.03   0.01    -0.02   0.00  -0.05     0.01   0.00   0.00
    20   1     0.06  -0.06   0.01    -0.02  -0.04  -0.09     0.01   0.02  -0.01
    21   6    -0.02   0.09   0.02     0.00   0.24   0.04     0.28   0.08   0.05
    22   6     0.12   0.12   0.04    -0.12   0.15  -0.03     0.02   0.01   0.01
    23   6     0.04   0.13   0.01    -0.05   0.11   0.00    -0.09   0.04  -0.00
    24   8     0.18   0.01   0.03    -0.16  -0.18  -0.04     0.02   0.09   0.02
    25   6     0.07  -0.09  -0.01     0.12  -0.07   0.00    -0.07   0.09   0.01
    26   1    -0.15  -0.14  -0.09    -0.23  -0.02   0.03     0.33   0.13   0.05
    27   1    -0.20   0.24   0.00    -0.02   0.25   0.09     0.41  -0.03   0.04
    28   1     0.13   0.16  -0.02     0.16   0.19   0.06    -0.08   0.05  -0.01
    29   1     0.09  -0.21  -0.03     0.06   0.28   0.05    -0.05  -0.02  -0.01
    30   1    -0.00  -0.06  -0.01     0.32  -0.16   0.01    -0.13   0.11   0.01
    31   1     0.01  -0.06  -0.01     0.33  -0.17   0.02    -0.13   0.11   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.7080               598.4326               625.4411
 Red. masses --      3.2783                 1.1686                 3.8487
 Frc consts  --      0.6335                 0.2466                 0.8870
 IR Inten    --      2.9584                45.7050                 4.1531
 RamAct Fr= 1--      1.7132                 0.9182                 1.4779
  Dep-P Fr= 1--      0.4469                 0.6818                 0.7471
  Dep-U Fr= 1--      0.6177                 0.8108                 0.8553
 Alpha2 Fr= 1--      0.0106                 0.0011                 0.0001
 Beta2  Fr= 1--      0.1764                 0.1241                 0.2107
 AlphaG Fr= 1--     -0.0519                -0.0650                -0.0005
 Gamma2 Fr= 1--      0.4994                -0.7738                 1.2845
 Delta2 Fr= 1--     -0.4508                 0.4069                 0.7110
 Raman1 Fr= 1--       6.853                  3.673                  5.912
 ROA1   Fr= 1--      33.521                -61.263                146.060
 CID1   Fr= 1--       4.891                -16.680                 24.707
 Raman2 Fr= 1--       2.117                  1.489                  2.528
 ROA2   Fr= 1--      15.593                -21.826                 25.139
 CID2   Fr= 1--       7.367                -14.659                  9.945
 Raman3 Fr= 1--       4.233                  2.978                  5.056
 ROA3   Fr= 1--      33.521                -61.263                146.060
 CID3   Fr= 1--       7.918                -20.573                 28.889
 RC180  Fr= 1--       0.235                  0.622                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.09     0.01  -0.01   0.01    -0.06   0.02  -0.05
     2   6    -0.02  -0.00   0.15     0.01   0.00  -0.04    -0.11  -0.01   0.06
     3   6    -0.01  -0.00  -0.07     0.00   0.00   0.02    -0.05   0.08   0.04
     4   6    -0.03  -0.06   0.19     0.01   0.01  -0.04     0.08  -0.00   0.08
     5   6     0.01  -0.01  -0.10     0.00   0.01   0.00     0.01  -0.05   0.02
     6   6     0.00   0.00   0.06    -0.00  -0.00   0.00    -0.01  -0.09  -0.04
     7   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.05  -0.07
     8   1    -0.03   0.01  -0.23     0.02   0.01   0.02    -0.09   0.07  -0.09
     9   1     0.07   0.04  -0.44    -0.01  -0.00   0.08    -0.06   0.05  -0.16
    10   1     0.06   0.06  -0.16    -0.02  -0.02   0.09     0.07  -0.03  -0.25
    11   6    -0.01   0.03   0.16     0.00  -0.02  -0.01     0.13   0.02  -0.16
    12   6    -0.00  -0.02   0.02     0.01  -0.03   0.01    -0.00   0.04  -0.03
    13   6    -0.05   0.06   0.03    -0.01   0.02   0.00     0.07  -0.04  -0.11
    14   1     0.02   0.02   0.16    -0.01  -0.04   0.02     0.23   0.06  -0.25
    15   1     0.01  -0.14  -0.00     0.01   0.01   0.03    -0.18   0.24  -0.05
    16   1    -0.07   0.10  -0.07     0.02  -0.05   0.04    -0.04  -0.02   0.04
    17   1     0.00  -0.09  -0.02     0.01  -0.01   0.02    -0.02  -0.11   0.12
    18   8    -0.03  -0.02  -0.10    -0.01   0.02   0.01     0.06   0.04   0.18
    19   8     0.11  -0.01  -0.07     0.01  -0.07  -0.01    -0.14  -0.04   0.00
    20   1    -0.03   0.40  -0.24    -0.24   0.95   0.04    -0.14   0.20   0.32
    21   6    -0.02  -0.04   0.02     0.00   0.01  -0.01     0.00  -0.05   0.04
    22   6     0.04   0.02  -0.18    -0.01  -0.00   0.04     0.06   0.02  -0.14
    23   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.05   0.02
    24   8     0.02   0.01   0.06    -0.01  -0.00  -0.01     0.07   0.04   0.05
    25   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    26   1    -0.01  -0.04   0.25    -0.00   0.00  -0.04     0.03  -0.07   0.12
    27   1    -0.06  -0.09   0.35     0.01   0.02  -0.08    -0.08  -0.07   0.36
    28   1    -0.05  -0.05   0.13     0.01   0.01  -0.02    -0.16  -0.01   0.20
    29   1     0.01  -0.04  -0.03    -0.00   0.01   0.01     0.02  -0.10  -0.02
    30   1    -0.06   0.04  -0.00     0.01  -0.01   0.00    -0.07   0.05  -0.00
    31   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    648.9237               687.0249               714.5751
 Red. masses --      3.9163                 4.9638                 3.6986
 Frc consts  --      0.9717                 1.3804                 1.1127
 IR Inten    --      3.6854                 3.8769                 8.1926
 RamAct Fr= 1--      0.1669                 0.8658                 2.3876
  Dep-P Fr= 1--      0.7295                 0.2490                 0.1848
  Dep-U Fr= 1--      0.8436                 0.3987                 0.3120
 Alpha2 Fr= 1--      0.0001                 0.0103                 0.0337
 Beta2  Fr= 1--      0.0235                 0.0575                 0.1241
 AlphaG Fr= 1--     -0.0033                 0.0214                 0.0232
 Gamma2 Fr= 1--      0.5026                -0.2775                -1.6322
 Delta2 Fr= 1--      0.1586                -0.4019                -0.2818
 Raman1 Fr= 1--       0.668                  3.463                  9.550
 ROA1   Fr= 1--      53.326                -39.505               -165.708
 CID1   Fr= 1--      79.862                -11.407                -17.351
 Raman2 Fr= 1--       0.282                  0.690                  1.490
 ROA2   Fr= 1--      10.793                 -3.446                -36.918
 CID2   Fr= 1--      38.321                 -4.992                -24.781
 Raman3 Fr= 1--       0.563                  1.381                  2.980
 ROA3   Fr= 1--      53.326                -39.505               -165.708
 CID3   Fr= 1--      94.666                -28.611                -55.616
 RC180  Fr= 1--       0.687                 -0.203                 -0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.00     0.07   0.05  -0.05    -0.00  -0.03  -0.13
     2   6    -0.11   0.02  -0.09     0.06   0.04  -0.02     0.02  -0.01   0.00
     3   6    -0.04   0.13  -0.05     0.10  -0.12  -0.06    -0.06   0.00  -0.03
     4   6     0.11   0.01   0.04     0.00  -0.07   0.15    -0.11  -0.03   0.21
     5   6     0.07  -0.06  -0.08    -0.15  -0.02  -0.09     0.06   0.06  -0.02
     6   6     0.03  -0.17   0.04    -0.14   0.14   0.09     0.04   0.00   0.09
     7   6    -0.00  -0.11   0.08    -0.15   0.16   0.10     0.08  -0.13   0.08
     8   1    -0.13   0.09   0.00     0.07  -0.12  -0.16     0.01   0.05  -0.21
     9   1    -0.05   0.02  -0.02    -0.08  -0.00  -0.32     0.17   0.10  -0.48
    10   1     0.09  -0.17   0.26    -0.14   0.15   0.05     0.03   0.03  -0.16
    11   6     0.12   0.08   0.13     0.12   0.04  -0.01    -0.11  -0.07  -0.11
    12   6     0.01   0.01   0.01     0.02  -0.02   0.00    -0.03   0.03  -0.03
    13   6    -0.06   0.01   0.02     0.05  -0.03  -0.08     0.06   0.03  -0.04
    14   1     0.15   0.12   0.07     0.23   0.08  -0.11    -0.08  -0.13  -0.07
    15   1    -0.07  -0.08  -0.05    -0.10   0.03  -0.04     0.01   0.14   0.03
    16   1    -0.14   0.19  -0.12    -0.08   0.04  -0.02     0.12  -0.16   0.11
    17   1     0.01  -0.22   0.01     0.01  -0.22   0.06    -0.04   0.24   0.02
    18   8    -0.06  -0.03   0.01     0.04   0.02   0.09     0.08   0.02   0.00
    19   8     0.02   0.02  -0.06    -0.08  -0.01  -0.05    -0.02  -0.02   0.03
    20   1     0.03  -0.12  -0.19    -0.05   0.02   0.14     0.01   0.00   0.20
    21   6     0.03  -0.05  -0.08    -0.15   0.00  -0.09     0.12   0.04  -0.06
    22   6     0.01  -0.04   0.19    -0.01  -0.06   0.14    -0.03   0.00   0.15
    23   6    -0.11   0.09  -0.04     0.09  -0.11  -0.05     0.00   0.06  -0.04
    24   8     0.08   0.05  -0.01     0.09   0.03  -0.00    -0.09  -0.04  -0.04
    25   6     0.00   0.01  -0.00     0.04  -0.06  -0.01    -0.03   0.04   0.00
    26   1     0.08  -0.05  -0.08    -0.16   0.16   0.06     0.07  -0.15   0.15
    27   1     0.02   0.07  -0.47    -0.08   0.02  -0.33     0.12   0.08  -0.23
    28   1    -0.15   0.10  -0.30     0.07  -0.09  -0.25     0.08   0.12  -0.22
    29   1     0.02  -0.10  -0.01     0.05  -0.16  -0.02    -0.05   0.16   0.02
    30   1    -0.05   0.01   0.00    -0.02  -0.05  -0.01     0.04  -0.00   0.01
    31   1    -0.07   0.06   0.00    -0.03  -0.02  -0.00     0.03   0.02   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.8870               771.0566               785.8986
 Red. masses --      4.8980                 4.6412                 2.4463
 Frc consts  --      1.6271                 1.6257                 0.8902
 IR Inten    --      3.9005                 6.6843                 1.4835
 RamAct Fr= 1--      1.0855                61.7614                 3.1643
  Dep-P Fr= 1--      0.5989                 0.0609                 0.0574
  Dep-U Fr= 1--      0.7491                 0.1148                 0.1085
 Alpha2 Fr= 1--      0.0030                 1.1887                 0.0614
 Beta2  Fr= 1--      0.1355                 1.1813                 0.0572
 AlphaG Fr= 1--     -0.0654                 0.1095                -0.1107
 Gamma2 Fr= 1--      2.4276                 1.4677                -0.2112
 Delta2 Fr= 1--     -0.2848                 0.4490                 0.2064
 Raman1 Fr= 1--       4.342                247.046                 12.657
 ROA1   Fr= 1--     223.931                155.269                -13.665
 CID1   Fr= 1--      51.575                  0.629                 -1.080
 Raman2 Fr= 1--       1.626                 14.176                  0.687
 ROA2   Fr= 1--      60.540                 31.634                 -6.719
 CID2   Fr= 1--      37.226                  2.232                 -9.781
 Raman3 Fr= 1--       3.253                 28.352                  1.374
 ROA3   Fr= 1--     223.931                155.269                -13.665
 CID3   Fr= 1--      68.848                  5.477                 -9.946
 RC180  Fr= 1--       0.498                 -0.770                 -0.783
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.02     0.02   0.12  -0.06     0.03   0.02  -0.19
     2   6    -0.00  -0.01  -0.01    -0.01  -0.12   0.03    -0.03  -0.02   0.21
     3   6     0.01   0.02   0.00    -0.04   0.14   0.05     0.01  -0.03   0.04
     4   6     0.01   0.00  -0.01     0.02   0.03   0.02     0.02   0.02  -0.12
     5   6    -0.00   0.00  -0.01     0.04  -0.04   0.04    -0.02  -0.01   0.08
     6   6    -0.00  -0.02  -0.01     0.04  -0.27  -0.03     0.00   0.05  -0.07
     7   6    -0.01   0.03  -0.00    -0.06   0.28   0.06    -0.00  -0.04   0.02
     8   1     0.01   0.02   0.01    -0.07   0.13   0.02    -0.03  -0.09   0.40
     9   1    -0.03   0.01   0.06    -0.09   0.12  -0.19    -0.01  -0.04   0.16
    10   1    -0.02  -0.03   0.05     0.01  -0.25  -0.28     0.03   0.08  -0.17
    11   6     0.01  -0.01  -0.05    -0.10  -0.07  -0.10     0.03   0.02   0.02
    12   6     0.05  -0.15   0.04    -0.04   0.05  -0.04     0.01  -0.02   0.01
    13   6    -0.12   0.50  -0.02    -0.02  -0.01   0.05    -0.01   0.02   0.00
    14   1    -0.07  -0.26   0.24    -0.10  -0.15  -0.03    -0.00   0.03   0.03
    15   1    -0.09   0.22   0.10     0.03   0.17   0.03    -0.00  -0.04   0.00
    16   1     0.08  -0.39   0.28     0.14  -0.15   0.11    -0.03   0.02  -0.02
    17   1     0.03  -0.16   0.23    -0.05   0.32  -0.01     0.01  -0.08   0.01
    18   8     0.09  -0.12   0.04    -0.03  -0.01  -0.06    -0.01  -0.01   0.01
    19   8    -0.05  -0.09  -0.07     0.07   0.01   0.09    -0.01  -0.00  -0.01
    20   1     0.04  -0.37   0.03     0.03   0.07  -0.03    -0.01   0.01  -0.03
    21   6    -0.01   0.00   0.01    -0.05   0.05  -0.04     0.01   0.01  -0.10
    22   6     0.00  -0.00  -0.02    -0.02  -0.04   0.04    -0.00  -0.01   0.06
    23   6     0.00  -0.01   0.00     0.05  -0.14  -0.03    -0.02   0.02   0.02
    24   8     0.01   0.01   0.00     0.09   0.04   0.01    -0.01  -0.00   0.00
    25   6     0.01  -0.01  -0.00     0.03  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.03  -0.03    -0.04   0.27   0.22    -0.05  -0.11   0.37
    27   1    -0.00  -0.01   0.01     0.10  -0.08   0.02    -0.05  -0.02   0.17
    28   1    -0.00  -0.02   0.04     0.10  -0.10  -0.17     0.05   0.13  -0.65
    29   1     0.01  -0.02  -0.00     0.06  -0.17  -0.03     0.00   0.02  -0.03
    30   1    -0.01  -0.00  -0.00    -0.04  -0.02  -0.00    -0.00  -0.01   0.00
    31   1    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01     0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    815.4413               828.5571               837.5278
 Red. masses --      2.9917                 1.4625                 1.8341
 Frc consts  --      1.1721                 0.5915                 0.7580
 IR Inten    --      8.7532                11.8337                12.7552
 RamAct Fr= 1--      4.0517                 0.6687                 0.9190
  Dep-P Fr= 1--      0.6096                 0.5439                 0.6190
  Dep-U Fr= 1--      0.7574                 0.7046                 0.7646
 Alpha2 Fr= 1--      0.0105                 0.0026                 0.0022
 Beta2  Fr= 1--      0.5115                 0.0785                 0.1171
 AlphaG Fr= 1--     -0.0683                 0.0090                 0.0368
 Gamma2 Fr= 1--     -0.9996                 0.9936                 0.8546
 Delta2 Fr= 1--     -0.9990                 0.0593                 0.5147
 Raman1 Fr= 1--      16.207                  2.675                  3.676
 ROA1   Fr= 1--    -127.930                 97.285                 98.517
 CID1   Fr= 1--      -7.894                 36.372                 26.799
 Raman2 Fr= 1--       6.138                  0.942                  1.405
 ROA2   Fr= 1--     -15.999                 23.373                 16.394
 CID2   Fr= 1--      -2.607                 24.804                 11.664
 Raman3 Fr= 1--      12.276                  1.885                  2.811
 ROA3   Fr= 1--    -127.930                 97.285                 98.517
 CID3   Fr= 1--     -10.421                 51.621                 35.048
 RC180  Fr= 1--       0.515                  0.409                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.01    -0.00  -0.02   0.07    -0.03  -0.01   0.07
     2   6    -0.04   0.06  -0.03    -0.01   0.01  -0.02     0.02  -0.00  -0.05
     3   6     0.11  -0.05   0.03     0.02  -0.01   0.01    -0.04   0.01   0.02
     4   6     0.07   0.01  -0.04     0.00  -0.01   0.08    -0.01   0.01  -0.08
     5   6    -0.02  -0.02   0.06     0.01   0.01  -0.08    -0.01  -0.01   0.04
     6   6    -0.04   0.07   0.08     0.00   0.02  -0.04    -0.00  -0.03   0.06
     7   6    -0.02  -0.07  -0.02     0.00   0.00  -0.07     0.02   0.02  -0.08
     8   1     0.17  -0.01  -0.10     0.07   0.05  -0.32    -0.04   0.04  -0.19
     9   1     0.05   0.06  -0.40    -0.04  -0.06   0.31     0.03   0.05  -0.26
    10   1     0.10   0.19  -0.39    -0.05  -0.07   0.47     0.03   0.04  -0.35
    11   6     0.07  -0.01  -0.14     0.00  -0.02  -0.04     0.00   0.03   0.06
    12   6     0.01   0.01  -0.05    -0.01   0.02  -0.02     0.01  -0.03   0.03
    13   6    -0.10   0.01   0.10    -0.01  -0.00   0.01     0.02   0.00  -0.01
    14   1     0.13  -0.10  -0.08     0.05  -0.04  -0.04    -0.08   0.08   0.05
    15   1    -0.15   0.36  -0.02    -0.04   0.12  -0.01     0.05  -0.18   0.00
    16   1     0.02  -0.18   0.14     0.02  -0.06   0.05    -0.05   0.10  -0.08
    17   1    -0.01  -0.02   0.12    -0.01   0.04   0.03     0.03  -0.09  -0.04
    18   8    -0.11  -0.04  -0.05    -0.02  -0.01  -0.01     0.02   0.01   0.02
    19   8     0.11   0.02   0.12     0.03   0.01   0.03    -0.03  -0.00  -0.05
    20   1     0.05   0.02  -0.17     0.02  -0.01  -0.01    -0.02  -0.02   0.01
    21   6    -0.04  -0.04  -0.02     0.00   0.01  -0.07     0.02   0.03  -0.08
    22   6    -0.00  -0.01   0.05    -0.00  -0.01   0.02    -0.01  -0.02   0.12
    23   6    -0.08   0.07  -0.04    -0.02  -0.00   0.05     0.04  -0.01  -0.06
    24   8     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.01  -0.00  -0.03
    25   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    26   1    -0.08  -0.11   0.06    -0.06  -0.08   0.38    -0.04  -0.07   0.50
    27   1    -0.10   0.01   0.01    -0.07  -0.08   0.44    -0.04  -0.08   0.49
    28   1    -0.20  -0.02   0.27     0.02   0.07  -0.35     0.02  -0.06   0.31
    29   1     0.02  -0.04   0.01     0.01  -0.01  -0.01    -0.01   0.02   0.02
    30   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    31   1    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.5811               883.6118               922.5125
 Red. masses --      3.1828                 1.8283                 1.5100
 Frc consts  --      1.4083                 0.8410                 0.7571
 IR Inten    --      1.1826                35.6865                12.4049
 RamAct Fr= 1--     26.1961                 1.4087                 0.5952
  Dep-P Fr= 1--      0.1101                 0.7290                 0.7474
  Dep-U Fr= 1--      0.1984                 0.8432                 0.8554
 Alpha2 Fr= 1--      0.4474                 0.0005                 0.0000
 Beta2  Fr= 1--      0.8661                 0.1980                 0.0849
 AlphaG Fr= 1--      0.1028                 0.0287                 0.0038
 Gamma2 Fr= 1--     -0.4620                -1.0066                -0.4173
 Delta2 Fr= 1--     -0.4803                -0.1990                 0.0025
 Raman1 Fr= 1--     104.784                  5.635                  2.381
 ROA1   Fr= 1--     -59.724               -103.000                -39.978
 CID1   Fr= 1--      -0.570                -18.279                -16.792
 Raman2 Fr= 1--      10.393                  2.376                  1.018
 ROA2   Fr= 1--      -7.245                -22.566                -10.034
 CID2   Fr= 1--      -0.697                 -9.498                 -9.854
 Raman3 Fr= 1--      20.786                  4.752                  2.037
 ROA3   Fr= 1--     -59.724               -103.000                -39.978
 CID3   Fr= 1--      -2.873                -21.677                -19.630
 RC180  Fr= 1--      -0.603                  0.686                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.02     0.00   0.01  -0.05    -0.01  -0.01   0.08
     2   6    -0.10   0.04  -0.00    -0.01  -0.03   0.14     0.01   0.01  -0.02
     3   6     0.19  -0.06  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.17
     4   6     0.02   0.03   0.01    -0.00  -0.01   0.03    -0.00  -0.01   0.06
     5   6     0.06   0.01   0.01     0.00   0.01  -0.06    -0.01  -0.01  -0.00
     6   6     0.04  -0.02   0.01     0.01   0.02  -0.07    -0.01   0.00   0.02
     7   6    -0.03   0.01  -0.01    -0.00  -0.00   0.02     0.00  -0.00  -0.01
     8   1     0.35  -0.01   0.10    -0.02  -0.01   0.04    -0.13  -0.15   0.88
     9   1     0.07   0.01   0.02    -0.06  -0.08   0.45    -0.01  -0.00  -0.01
    10   1     0.16   0.03  -0.00    -0.04  -0.05   0.26     0.00   0.02  -0.08
    11   6    -0.16  -0.05   0.07     0.01  -0.01  -0.01     0.01  -0.02  -0.01
    12   6    -0.08   0.01   0.01    -0.00   0.01  -0.01    -0.01   0.02  -0.02
    13   6     0.06   0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    14   1    -0.17  -0.11   0.14     0.04  -0.02  -0.02     0.07  -0.05  -0.01
    15   1     0.24  -0.23   0.09    -0.02   0.06  -0.01    -0.02   0.10   0.00
    16   1     0.17  -0.05  -0.01     0.00  -0.02   0.02     0.02  -0.04   0.03
    17   1    -0.06   0.44  -0.17    -0.01   0.01   0.02    -0.02   0.05   0.03
    18   8     0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.06  -0.01  -0.06     0.01   0.00   0.01     0.01  -0.00   0.01
    20   1    -0.03  -0.00   0.10     0.01  -0.00   0.00    -0.00   0.05   0.02
    21   6    -0.06  -0.04  -0.03     0.00   0.01  -0.02     0.01   0.01  -0.04
    22   6    -0.03  -0.03   0.01    -0.01  -0.01   0.09     0.00  -0.00   0.02
    23   6    -0.18   0.08  -0.03     0.03   0.03  -0.17     0.01  -0.00   0.00
    24   8     0.07   0.06   0.01    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    25   6     0.04  -0.03  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.12  -0.03   0.03    -0.00  -0.01   0.04     0.02   0.01  -0.06
    27   1    -0.06  -0.06   0.05     0.00   0.00   0.00    -0.04  -0.05   0.32
    28   1    -0.37  -0.01   0.07    -0.08  -0.14   0.78     0.02  -0.00   0.02
    29   1     0.07  -0.17  -0.02    -0.01   0.00   0.03    -0.01   0.01   0.00
    30   1    -0.04   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    31   1    -0.04   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.3422               964.6596               971.2346
 Red. masses --      3.5903                 1.3107                 1.3380
 Frc consts  --      1.9064                 0.7186                 0.7436
 IR Inten    --     25.4355                 0.3082                 0.7341
 RamAct Fr= 1--      0.7473                 1.6900                 0.8992
  Dep-P Fr= 1--      0.7491                 0.7500                 0.6026
  Dep-U Fr= 1--      0.8566                 0.8571                 0.7520
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0025
 Beta2  Fr= 1--      0.1067                 0.2414                 0.1127
 AlphaG Fr= 1--      0.0011                -0.0009                 0.0757
 Gamma2 Fr= 1--      0.4224                -0.1488                 0.5762
 Delta2 Fr= 1--     -0.9652                 0.1431                 0.1455
 Raman1 Fr= 1--       2.989                  6.760                  3.597
 ROA1   Fr= 1--       9.663                 -9.703                 59.971
 CID1   Fr= 1--       3.232                 -1.435                 16.674
 Raman2 Fr= 1--       1.280                  2.897                  1.352
 ROA2   Fr= 1--      17.860                 -4.715                 12.665
 CID2   Fr= 1--      13.950                 -1.628                  9.364
 Raman3 Fr= 1--       2.561                  5.794                  2.705
 ROA3   Fr= 1--       9.663                 -9.703                 59.971
 CID3   Fr= 1--       3.774                 -1.675                 22.171
 RC180  Fr= 1--       0.713                  0.714                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.02
     2   6    -0.07  -0.06  -0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     3   6    -0.05  -0.16  -0.05     0.00   0.00  -0.04    -0.01  -0.00   0.02
     4   6    -0.12  -0.03  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.01
     5   6     0.13   0.22   0.06     0.01   0.01  -0.02     0.02   0.02  -0.11
     6   6     0.04  -0.01  -0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.11
     7   6     0.02   0.06   0.02     0.02   0.02  -0.11    -0.00  -0.01   0.03
     8   1    -0.08  -0.19   0.06    -0.03  -0.03   0.17     0.00   0.01  -0.09
     9   1     0.22   0.17   0.00    -0.01  -0.02   0.15    -0.07  -0.12   0.67
    10   1    -0.18  -0.10   0.04     0.01   0.02  -0.12     0.08   0.13  -0.65
    11   6     0.04   0.05  -0.04     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6     0.08  -0.03   0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.19  -0.14     0.02  -0.01  -0.00     0.02  -0.01   0.00
    15   1    -0.15   0.01  -0.08    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    16   1    -0.18   0.13  -0.05     0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.08  -0.45   0.09    -0.00   0.00   0.01    -0.00   0.01   0.00
    18   8    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8     0.02   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00     0.00  -0.01   0.00
    21   6     0.09   0.15   0.03    -0.01  -0.01   0.10     0.01   0.02  -0.01
    22   6    -0.08  -0.04  -0.01    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    23   6    -0.14  -0.09  -0.04    -0.00  -0.01  -0.00    -0.01  -0.02   0.01
    24   8     0.06   0.07   0.02     0.00   0.00   0.01     0.00   0.01   0.00
    25   6     0.06  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.14   0.00  -0.06    -0.09  -0.13   0.70    -0.00   0.01  -0.16
    27   1     0.21   0.04   0.09     0.08   0.11  -0.61    -0.01   0.00   0.10
    28   1    -0.28  -0.15  -0.05    -0.00  -0.01  -0.02    -0.01  -0.01  -0.07
    29   1     0.09  -0.22  -0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    30   1    -0.06   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.06   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.2320              1013.8104              1061.6746
 Red. masses --      3.5064                 2.2773                 4.7054
 Frc consts  --      1.9891                 1.3791                 3.1248
 IR Inten    --      0.5744                11.5120                53.9358
 RamAct Fr= 1--     14.7357                 2.7151                 3.0990
  Dep-P Fr= 1--      0.1106                 0.5491                 0.3738
  Dep-U Fr= 1--      0.1992                 0.7089                 0.5441
 Alpha2 Fr= 1--      0.2514                 0.0104                 0.0251
 Beta2  Fr= 1--      0.4892                 0.3208                 0.2811
 AlphaG Fr= 1--     -0.1619                 0.0362                -0.0014
 Gamma2 Fr= 1--     -0.3815                -0.0699                 0.5301
 Delta2 Fr= 1--      0.0959                -2.2831                 0.3033
 Raman1 Fr= 1--      58.943                 10.860                 12.396
 ROA1   Fr= 1--     -33.554                -79.772                 60.599
 CID1   Fr= 1--      -0.569                 -7.345                  4.889
 Raman2 Fr= 1--       5.871                  3.850                  3.373
 ROA2   Fr= 1--      -9.922                 16.587                 10.297
 CID2   Fr= 1--      -1.690                  4.309                  3.053
 Raman3 Fr= 1--      11.741                  7.699                  6.745
 ROA3   Fr= 1--     -33.554                -79.772                 60.599
 CID3   Fr= 1--      -2.858                -10.361                  8.984
 RC180  Fr= 1--      -0.602                  0.418                  0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.03   0.00  -0.00     0.02   0.01   0.00
     2   6    -0.03   0.02   0.00    -0.00  -0.02  -0.01     0.05  -0.03  -0.00
     3   6    -0.04   0.14   0.03    -0.03  -0.08  -0.00    -0.02   0.04   0.00
     4   6     0.07  -0.01  -0.01     0.03  -0.03  -0.05    -0.01  -0.01  -0.00
     5   6    -0.02  -0.13  -0.00     0.02   0.10   0.04    -0.01  -0.02  -0.01
     6   6    -0.01   0.13   0.01    -0.03   0.00  -0.01    -0.01   0.03   0.01
     7   6     0.01  -0.12  -0.02     0.00   0.03   0.01     0.08  -0.05   0.00
     8   1    -0.04   0.15  -0.02    -0.16  -0.13  -0.13    -0.05   0.03   0.01
     9   1     0.10  -0.18  -0.15    -0.02   0.16  -0.03     0.06  -0.08  -0.01
    10   1     0.21   0.21   0.16    -0.24  -0.08  -0.04    -0.04   0.02   0.00
    11   6     0.02  -0.06   0.05     0.10  -0.12   0.13    -0.00  -0.02   0.01
    12   6    -0.05   0.05  -0.03    -0.04   0.13  -0.10     0.02   0.02  -0.01
    13   6     0.01   0.01   0.01     0.02  -0.02   0.06     0.01  -0.00   0.01
    14   1     0.03  -0.17   0.15     0.14  -0.44   0.42    -0.06  -0.02   0.03
    15   1     0.04   0.08   0.02    -0.11   0.46  -0.02    -0.06   0.06  -0.03
    16   1     0.07  -0.03   0.03     0.03  -0.10   0.12    -0.06   0.03  -0.00
    17   1    -0.05   0.24  -0.02    -0.06   0.22   0.11     0.01  -0.08   0.03
    18   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.02  -0.00  -0.03    -0.04  -0.01  -0.08    -0.01  -0.00  -0.01
    20   1    -0.02  -0.01  -0.04    -0.05  -0.02  -0.11    -0.01  -0.00  -0.02
    21   6     0.07   0.24   0.05     0.01  -0.02  -0.00    -0.02  -0.12  -0.02
    22   6    -0.07  -0.02  -0.01     0.01   0.00   0.00    -0.18   0.09  -0.01
    23   6    -0.01  -0.23  -0.04     0.00   0.02   0.01     0.02   0.06   0.01
    24   8     0.02   0.05   0.01     0.00  -0.01  -0.00    -0.13   0.29   0.04
    25   6     0.05  -0.05  -0.00    -0.01   0.01   0.00     0.14  -0.32  -0.04
    26   1    -0.35  -0.26  -0.09     0.08   0.06   0.01     0.32   0.04   0.04
    27   1    -0.05   0.33   0.06     0.04  -0.04   0.00     0.22  -0.33  -0.03
    28   1    -0.13  -0.29  -0.06     0.04   0.04   0.01     0.40   0.21   0.09
    29   1     0.07  -0.16  -0.02    -0.01   0.02   0.00     0.10  -0.15  -0.01
    30   1    -0.04  -0.01  -0.00    -0.00   0.01   0.00     0.14  -0.23  -0.05
    31   1    -0.04  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.23   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1078.8280              1091.2664              1149.9100
 Red. masses --      2.2889                 1.6725                 1.4790
 Frc consts  --      1.5696                 1.1735                 1.1522
 IR Inten    --     13.7734                 5.2937                19.4667
 RamAct Fr= 1--      6.8855                 6.2007                 0.5082
  Dep-P Fr= 1--      0.6148                 0.1489                 0.7480
  Dep-U Fr= 1--      0.7615                 0.2593                 0.8559
 Alpha2 Fr= 1--      0.0171                 0.0961                 0.0000
 Beta2  Fr= 1--      0.8738                 0.2679                 0.0725
 AlphaG Fr= 1--      0.0198                -0.1141                 0.0003
 Gamma2 Fr= 1--     -2.1389                 0.3424                -0.4647
 Delta2 Fr= 1--      0.0854                 0.0790                -1.0818
 Raman1 Fr= 1--      27.542                 24.803                  2.033
 ROA1   Fr= 1--    -202.598                 35.395                -79.226
 CID1   Fr= 1--      -7.356                  1.427                -38.973
 Raman2 Fr= 1--      10.486                  3.215                  0.870
 ROA2   Fr= 1--     -52.015                  7.585                 -2.497
 CID2   Fr= 1--      -4.960                  2.359                 -2.871
 Raman3 Fr= 1--      20.972                  6.430                  1.740
 ROA3   Fr= 1--    -202.598                 35.395                -79.226
 CID3   Fr= 1--      -9.660                  5.504                -45.536
 RC180  Fr= 1--       0.523                 -0.481                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.04   0.01  -0.00     0.01  -0.08  -0.01
     2   6     0.01   0.02   0.01     0.01   0.00   0.00     0.02  -0.04  -0.00
     3   6    -0.01   0.01  -0.00    -0.04  -0.08  -0.01    -0.04   0.04   0.00
     4   6    -0.11   0.06   0.00     0.03   0.01  -0.01    -0.04   0.03  -0.01
     5   6    -0.01  -0.06  -0.02     0.01   0.02   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03  -0.00     0.00  -0.01  -0.00    -0.02   0.05   0.01
     7   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.06   0.06   0.00
     8   1     0.17   0.08   0.05    -0.22  -0.15  -0.08     0.10   0.10   0.02
     9   1     0.06  -0.14   0.01    -0.01   0.04   0.00     0.22  -0.22  -0.01
    10   1     0.21   0.03   0.03    -0.07  -0.03  -0.02    -0.03   0.04   0.00
    11   6    -0.04   0.20   0.04     0.07   0.13   0.01     0.05  -0.02   0.01
    12   6     0.06  -0.11  -0.10    -0.11  -0.09   0.00    -0.02   0.02   0.01
    13   6     0.05  -0.11   0.07    -0.02   0.00  -0.05    -0.01   0.01  -0.01
    14   1     0.01  -0.08   0.28     0.43   0.01  -0.05     0.15  -0.05  -0.02
    15   1    -0.13   0.48   0.00     0.30  -0.19   0.17     0.04  -0.05   0.01
    16   1     0.08  -0.49   0.29     0.34  -0.27   0.06     0.02   0.05  -0.03
    17   1     0.02  -0.10   0.27    -0.09   0.53  -0.12    -0.01   0.05  -0.04
    18   8     0.01   0.03  -0.00    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    19   8    -0.04   0.01  -0.04     0.03   0.01   0.03     0.01  -0.00   0.01
    20   1    -0.05   0.00  -0.13     0.03   0.01   0.07     0.01  -0.00   0.02
    21   6     0.01   0.00   0.00     0.02   0.01   0.00     0.05  -0.03   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.03  -0.00  -0.00
    23   6    -0.01   0.00  -0.00     0.01  -0.02  -0.00    -0.02   0.06   0.01
    24   8     0.00   0.00   0.00    -0.01   0.02   0.00     0.04  -0.03  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.00   0.04   0.01
    26   1    -0.04  -0.00  -0.00     0.04   0.01   0.01    -0.40  -0.07  -0.06
    27   1     0.06  -0.04   0.00     0.04  -0.01   0.00     0.61  -0.48  -0.01
    28   1    -0.06  -0.02  -0.01     0.02  -0.01  -0.00     0.09   0.11   0.03
    29   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.08  -0.01
    30   1    -0.01   0.00   0.00     0.01  -0.02  -0.00    -0.04   0.03   0.01
    31   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.04   0.03  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.1047              1181.5610              1190.9476
 Red. masses --      1.2767                 1.4243                 1.9536
 Frc consts  --      1.0370                 1.1715                 1.6326
 IR Inten    --      0.8538                 4.4606                32.3966
 RamAct Fr= 1--      0.8907                 2.7048                18.4394
  Dep-P Fr= 1--      0.7500                 0.4925                 0.4289
  Dep-U Fr= 1--      0.8571                 0.6600                 0.6003
 Alpha2 Fr= 1--      0.0000                 0.0138                 0.1228
 Beta2  Fr= 1--      0.1272                 0.2975                 1.8448
 AlphaG Fr= 1--      0.0000                -0.0083                -0.0408
 Gamma2 Fr= 1--      0.0431                -0.8520                -8.4249
 Delta2 Fr= 1--      0.0113                -1.0542                 0.5758
 Raman1 Fr= 1--       3.563                 10.819                 73.757
 ROA1   Fr= 1--       4.503               -115.526               -790.362
 CID1   Fr= 1--       1.264                -10.678                -10.716
 Raman2 Fr= 1--       1.527                  3.570                 22.138
 ROA2   Fr= 1--       0.945                -12.015               -206.804
 CID2   Fr= 1--       0.619                 -3.365                 -9.342
 Raman3 Fr= 1--       3.054                  7.141                 44.276
 ROA3   Fr= 1--       4.503               -115.526               -790.362
 CID3   Fr= 1--       1.475                -16.179                -17.851
 RC180  Fr= 1--       0.714                  0.320                  0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.03  -0.03  -0.01     0.05   0.03   0.01
     2   6     0.00   0.00  -0.00     0.00   0.07   0.01     0.06   0.06   0.02
     3   6    -0.00   0.00  -0.00    -0.01  -0.06  -0.01    -0.02  -0.01  -0.01
     4   6     0.00   0.00   0.00    -0.04   0.04  -0.01     0.02   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.07   0.01  -0.00     0.01  -0.01  -0.01
     6   6    -0.00  -0.00   0.00     0.07  -0.06  -0.00    -0.02  -0.04  -0.01
     7   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.04  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.13  -0.01   0.00    -0.23  -0.10   0.00
     9   1     0.00  -0.00  -0.00    -0.55   0.38  -0.00    -0.11   0.08   0.02
    10   1    -0.00  -0.00  -0.00     0.57   0.13   0.10    -0.19  -0.11  -0.04
    11   6    -0.00   0.00  -0.00     0.02  -0.04   0.02     0.01   0.02  -0.11
    12   6    -0.00  -0.00  -0.00     0.00   0.03   0.00    -0.01  -0.01   0.04
    13   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.03  -0.00   0.18
    14   1    -0.00   0.00   0.00     0.13  -0.05  -0.03    -0.07   0.02  -0.06
    15   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.06  -0.14   0.03
    16   1     0.00  -0.00   0.00    -0.02   0.05  -0.02     0.02   0.10  -0.09
    17   1    -0.00   0.00   0.00     0.00  -0.03  -0.00     0.00   0.07  -0.10
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.05   0.02  -0.01
    19   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.07  -0.02  -0.04
    20   1    -0.00  -0.00  -0.00     0.03   0.01   0.10    -0.16  -0.02  -0.55
    21   6    -0.00  -0.00   0.00     0.03   0.02   0.01     0.03  -0.01   0.00
    22   6     0.00   0.00   0.00     0.02  -0.02  -0.00     0.05   0.01   0.01
    23   6    -0.00   0.00   0.00     0.04   0.00   0.01    -0.01  -0.00  -0.00
    24   8     0.01   0.01  -0.06    -0.03   0.03   0.00    -0.02   0.03   0.00
    25   6    -0.02  -0.02   0.13     0.00  -0.03  -0.00    -0.03  -0.04  -0.01
    26   1     0.00   0.00  -0.00    -0.17  -0.06  -0.03    -0.34  -0.14  -0.07
    27   1     0.00   0.00  -0.01     0.21  -0.12   0.00     0.13  -0.09  -0.00
    28   1     0.00   0.00  -0.02    -0.09  -0.05  -0.02    -0.33  -0.13  -0.06
    29   1     0.03   0.05  -0.28    -0.02   0.07   0.01    -0.08   0.24   0.03
    30   1    -0.22   0.63  -0.10     0.03  -0.02  -0.01     0.12  -0.05  -0.02
    31   1     0.26  -0.56  -0.25     0.03  -0.02   0.01     0.11  -0.06   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.3352              1198.5238              1222.2210
 Red. masses --      1.6145                 1.7016                 1.7332
 Frc consts  --      1.3614                 1.4402                 1.5254
 IR Inten    --     28.3420                11.5245                17.9334
 RamAct Fr= 1--     46.0056                12.0067                 2.3013
  Dep-P Fr= 1--      0.1455                 0.6945                 0.3192
  Dep-U Fr= 1--      0.2541                 0.8197                 0.4840
 Alpha2 Fr= 1--      0.7193                 0.0117                 0.0223
 Beta2  Fr= 1--      1.9484                 1.6403                 0.1856
 AlphaG Fr= 1--     -0.0521                -0.0191                -0.0296
 Gamma2 Fr= 1--      8.4185                 6.8880                 0.1724
 Delta2 Fr= 1--      1.1634                 0.0375                 0.1365
 Raman1 Fr= 1--     184.023                 48.027                  9.205
 ROA1   Fr= 1--     845.403                662.446                 20.914
 CID1   Fr= 1--       4.594                 13.793                  2.272
 Raman2 Fr= 1--      23.381                 19.684                  2.228
 ROA2   Fr= 1--     192.737                165.011                  3.045
 CID2   Fr= 1--       8.243                  8.383                  1.367
 Raman3 Fr= 1--      46.762                 39.368                  4.455
 ROA3   Fr= 1--     845.403                662.446                 20.914
 CID3   Fr= 1--      18.079                 16.827                  4.694
 RC180  Fr= 1--      -0.492                  0.639                 -0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.01    -0.06  -0.03  -0.01    -0.07  -0.04  -0.02
     2   6    -0.02  -0.01  -0.00    -0.06  -0.04  -0.01    -0.11  -0.06  -0.03
     3   6     0.02   0.01   0.00     0.02  -0.01  -0.01     0.03   0.01   0.00
     4   6     0.15  -0.07   0.01    -0.00  -0.02   0.02     0.03  -0.04   0.00
     5   6     0.00   0.05   0.01    -0.02   0.02  -0.00     0.01   0.03   0.01
     6   6    -0.01   0.03   0.00     0.03   0.03   0.01     0.00   0.05   0.01
     7   6    -0.02  -0.04  -0.01     0.03   0.01   0.01     0.00   0.03   0.01
     8   1    -0.45  -0.17  -0.08     0.10   0.02   0.05     0.13   0.04   0.03
     9   1    -0.27   0.26   0.01    -0.10   0.09   0.02     0.08  -0.01   0.01
    10   1     0.01   0.04   0.01     0.32   0.15   0.07     0.19   0.13   0.05
    11   6    -0.10   0.05   0.01     0.04   0.02  -0.08     0.00   0.02  -0.01
    12   6     0.02  -0.04  -0.03    -0.03  -0.01   0.03    -0.01  -0.01  -0.00
    13   6     0.01  -0.02  -0.03     0.02  -0.00   0.13     0.00  -0.01   0.02
    14   1    -0.39   0.14   0.06     0.01   0.01  -0.05    -0.10   0.04   0.02
    15   1    -0.05   0.11  -0.01     0.07  -0.12   0.04     0.02  -0.00   0.01
    16   1    -0.03  -0.13   0.08     0.05   0.06  -0.07     0.03  -0.03   0.00
    17   1     0.01  -0.02   0.08    -0.01   0.09  -0.10    -0.01   0.03  -0.01
    18   8    -0.01   0.00  -0.00     0.03   0.01  -0.01     0.00   0.00  -0.00
    19   8     0.01   0.01   0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.00
    20   1     0.03   0.00   0.10    -0.12  -0.01  -0.39    -0.02   0.00  -0.05
    21   6     0.01  -0.01  -0.00    -0.02   0.01  -0.00     0.00   0.01   0.00
    22   6    -0.04   0.00  -0.00    -0.07  -0.01  -0.01     0.01  -0.01  -0.00
    23   6     0.01   0.01   0.00     0.02   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.09   0.03   0.02
    25   6     0.01   0.03   0.01     0.05   0.06   0.02    -0.13  -0.04  -0.02
    26   1    -0.34  -0.16  -0.07     0.26   0.10   0.05     0.07   0.06   0.02
    27   1     0.22  -0.18  -0.00    -0.03   0.02  -0.00     0.08  -0.05   0.00
    28   1     0.25   0.10   0.05     0.43   0.16   0.08     0.26   0.06   0.04
    29   1     0.04  -0.13  -0.02     0.14  -0.38  -0.05    -0.25   0.59   0.07
    30   1    -0.05   0.02   0.01    -0.19   0.08   0.04     0.38  -0.14  -0.06
    31   1    -0.05   0.03  -0.02    -0.18   0.10  -0.05     0.36  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1251.8686              1297.6251              1302.0309
 Red. masses --      2.3392                 1.9761                 1.7375
 Frc consts  --      2.1599                 1.9605                 1.7355
 IR Inten    --    150.6374                85.2340                19.9386
 RamAct Fr= 1--      6.3273                 5.8600                 8.6784
  Dep-P Fr= 1--      0.2649                 0.3615                 0.4277
  Dep-U Fr= 1--      0.4188                 0.5310                 0.5992
 Alpha2 Fr= 1--      0.0719                 0.0495                 0.0580
 Beta2  Fr= 1--      0.4416                 0.5186                 0.8667
 AlphaG Fr= 1--      0.0691                 0.0462                -0.0351
 Gamma2 Fr= 1--     -0.1934                 2.8973                -8.6910
 Delta2 Fr= 1--     -0.7874                 0.3550                -1.3665
 Raman1 Fr= 1--      25.309                 23.440                 34.714
 ROA1   Fr= 1--     -43.760                289.502               -878.062
 CID1   Fr= 1--      -1.729                 12.351                -25.294
 Raman2 Fr= 1--       5.300                  6.224                 10.400
 ROA2   Fr= 1--       1.658                 66.696               -197.652
 CID2   Fr= 1--       0.313                 10.717                -19.005
 Raman3 Fr= 1--      10.600                 12.447                 20.800
 ROA3   Fr= 1--     -43.760                289.502               -878.062
 CID3   Fr= 1--      -4.128                 23.259                -42.215
 RC180  Fr= 1--      -0.162                  0.062                  0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.10   0.04     0.02  -0.07  -0.01    -0.05   0.11   0.01
     2   6     0.01   0.01   0.00     0.15  -0.03   0.01    -0.01   0.12   0.02
     3   6    -0.04  -0.04  -0.01    -0.05   0.02  -0.00     0.03  -0.04  -0.01
     4   6    -0.09   0.11  -0.01     0.03  -0.01   0.01    -0.03  -0.01   0.01
     5   6     0.01  -0.01   0.00    -0.02  -0.03  -0.01     0.02  -0.01  -0.00
     6   6    -0.00  -0.04  -0.01     0.01   0.04   0.01    -0.00  -0.05  -0.01
     7   6     0.01  -0.06  -0.01    -0.02  -0.01  -0.00    -0.01  -0.07  -0.01
     8   1    -0.46  -0.19  -0.10     0.01   0.04   0.02     0.44   0.11   0.09
     9   1     0.06  -0.06  -0.01    -0.32   0.20   0.00    -0.03   0.03   0.02
    10   1     0.33   0.09   0.06    -0.00   0.03   0.01    -0.31  -0.18  -0.07
    11   6    -0.02  -0.04   0.01     0.03   0.01  -0.02     0.05   0.04  -0.07
    12   6     0.02   0.02   0.01    -0.01  -0.01   0.00    -0.01   0.01   0.04
    13   6    -0.01   0.01   0.01     0.00  -0.01  -0.00     0.00  -0.02  -0.02
    14   1     0.39  -0.13  -0.10    -0.27  -0.01   0.15    -0.25  -0.34   0.44
    15   1    -0.04  -0.02  -0.03     0.02  -0.01   0.02     0.03  -0.12   0.02
    16   1    -0.07   0.08  -0.02     0.03  -0.00  -0.01     0.04   0.09  -0.06
    17   1     0.02  -0.06   0.02    -0.01   0.03  -0.03     0.01  -0.06  -0.10
    18   8     0.01  -0.00  -0.00    -0.02  -0.00   0.00    -0.03  -0.01   0.00
    19   8     0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.01  -0.01
    20   1     0.01  -0.00   0.05     0.02  -0.00   0.09     0.05  -0.00   0.18
    21   6    -0.02  -0.05  -0.01    -0.02   0.01  -0.00     0.02   0.01   0.00
    22   6    -0.12   0.07  -0.00    -0.12   0.11   0.00    -0.07   0.02  -0.00
    23   6    -0.07  -0.05  -0.02    -0.07  -0.01  -0.01     0.03  -0.05  -0.01
    24   8     0.11  -0.03   0.01     0.09  -0.04   0.00     0.03  -0.01   0.00
    25   6    -0.05   0.04   0.00    -0.03   0.04   0.00    -0.01   0.02   0.00
    26   1    -0.09  -0.11  -0.03     0.58   0.22   0.11    -0.13  -0.12  -0.04
    27   1    -0.21   0.09  -0.01     0.13  -0.12  -0.01     0.09  -0.06   0.00
    28   1     0.39   0.12   0.07    -0.44  -0.14  -0.08     0.28   0.05   0.04
    29   1    -0.04   0.04   0.00    -0.01  -0.01  -0.00     0.00  -0.05  -0.01
    30   1     0.14  -0.05  -0.00     0.09  -0.05   0.01     0.05  -0.03   0.00
    31   1     0.14  -0.06   0.02     0.09  -0.04  -0.00     0.05  -0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1305.0618              1328.0274              1342.4154
 Red. masses --      1.5657                 1.7304                 1.7761
 Frc consts  --      1.5712                 1.7981                 1.8858
 IR Inten    --     32.5200               252.5440                12.8637
 RamAct Fr= 1--     11.6777                 1.8044                13.3902
  Dep-P Fr= 1--      0.3932                 0.5162                 0.2426
  Dep-U Fr= 1--      0.5645                 0.6809                 0.3905
 Alpha2 Fr= 1--      0.0886                 0.0082                 0.1620
 Beta2  Fr= 1--      1.0986                 0.2048                 0.8715
 AlphaG Fr= 1--      0.0572                 0.0135                 0.1177
 Gamma2 Fr= 1--      7.1560                -0.4869                 0.2294
 Delta2 Fr= 1--     -1.2003                 0.0869                -1.5774
 Raman1 Fr= 1--      46.711                  7.218                 53.561
 ROA1   Fr= 1--     648.568                -43.967                -28.452
 CID1   Fr= 1--      13.885                 -6.092                 -0.531
 Raman2 Fr= 1--      13.184                  2.457                 10.458
 ROA2   Fr= 1--     181.347                -12.382                 18.125
 CID2   Fr= 1--      13.755                 -5.039                  1.733
 Raman3 Fr= 1--      26.368                  4.914                 20.916
 ROA3   Fr= 1--     648.568                -43.967                -28.452
 CID3   Fr= 1--      24.597                 -8.946                 -1.360
 RC180  Fr= 1--       0.129                  0.362                 -0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05  -0.00     0.00   0.00   0.00    -0.09  -0.02  -0.01
     2   6    -0.01  -0.08  -0.02    -0.00   0.00   0.00    -0.03   0.01  -0.00
     3   6    -0.02   0.03  -0.00     0.00   0.00  -0.00     0.06  -0.03   0.00
     4   6    -0.02   0.01   0.02    -0.00  -0.00   0.00     0.10   0.05   0.00
     5   6    -0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   6    -0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     7   6     0.01   0.05   0.01     0.00   0.00   0.00    -0.03  -0.02  -0.01
     8   1    -0.35  -0.09  -0.04     0.01   0.01   0.02    -0.16  -0.12  -0.04
     9   1     0.08  -0.06   0.01     0.02  -0.02   0.00     0.11  -0.10  -0.01
    10   1     0.29   0.13   0.06    -0.02  -0.01  -0.00    -0.04  -0.00  -0.01
    11   6     0.06   0.05  -0.09     0.02  -0.01  -0.02    -0.16   0.04  -0.04
    12   6    -0.00   0.00   0.05    -0.01  -0.02  -0.01     0.06   0.01   0.05
    13   6     0.01  -0.02  -0.02     0.02   0.01   0.19     0.01  -0.01   0.03
    14   1    -0.27  -0.43   0.54     0.01   0.24  -0.25     0.56  -0.46   0.09
    15   1     0.02  -0.13   0.02     0.00   0.08   0.03    -0.16  -0.08  -0.09
    16   1     0.01   0.14  -0.09     0.03   0.00  -0.04    -0.18   0.16  -0.03
    17   1     0.02  -0.00  -0.10    -0.01   0.09  -0.03     0.07  -0.10  -0.04
    18   8    -0.04  -0.01   0.00    -0.04  -0.01  -0.03     0.01   0.00  -0.01
    19   8     0.01   0.01  -0.01     0.01   0.01  -0.13    -0.00   0.00  -0.02
    20   1     0.06   0.00   0.20     0.21   0.01   0.87     0.03   0.01   0.13
    21   6    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    22   6     0.07  -0.04   0.00     0.01  -0.01  -0.00     0.01   0.03   0.01
    23   6    -0.01   0.04   0.00     0.00   0.00   0.00     0.05  -0.02   0.00
    24   8    -0.04   0.02  -0.00    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
    25   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    26   1    -0.09   0.01  -0.01    -0.03  -0.01  -0.00     0.28   0.10   0.05
    27   1    -0.15   0.10  -0.00    -0.02   0.01   0.00     0.24  -0.16   0.00
    28   1    -0.09   0.01  -0.01    -0.00   0.00   0.00    -0.13  -0.09  -0.03
    29   1     0.00   0.03   0.01     0.00   0.00   0.00     0.01   0.00   0.00
    30   1    -0.05   0.03  -0.01    -0.01  -0.00   0.00    -0.02   0.00   0.01
    31   1    -0.05   0.02   0.00    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.7297              1407.3526              1412.7108
 Red. masses --      1.8058                 4.8688                 1.2713
 Frc consts  --      2.0431                 5.6817                 1.4948
 IR Inten    --     15.0501                 3.5742                12.5193
 RamAct Fr= 1--     13.0730               641.9125                17.6109
  Dep-P Fr= 1--      0.2012                 0.2227                 0.1812
  Dep-U Fr= 1--      0.3349                 0.3642                 0.3068
 Alpha2 Fr= 1--      0.1770                 8.2030                 0.2513
 Beta2  Fr= 1--      0.7298                38.9681                 0.9005
 AlphaG Fr= 1--     -0.2230                 2.5066                 0.1606
 Gamma2 Fr= 1--      0.7040                 6.4028                -1.2518
 Delta2 Fr= 1--      2.0504                -4.3940                -1.4064
 Raman1 Fr= 1--      52.292               2567.650                 70.444
 ROA1   Fr= 1--     133.193                474.060               -165.177
 CID1   Fr= 1--       2.547                  0.185                 -2.345
 Raman2 Fr= 1--       8.757                467.617                 10.807
 ROA2   Fr= 1--       0.492                188.820                -18.792
 CID2   Fr= 1--       0.056                  0.404                 -1.739
 Raman3 Fr= 1--      17.514                935.233                 21.613
 ROA3   Fr= 1--     133.193                474.060               -165.177
 CID3   Fr= 1--       7.605                  0.507                 -7.642
 RC180  Fr= 1--      -0.330                 -0.272                 -0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.01    -0.10   0.28   0.04    -0.02   0.02   0.00
     2   6     0.06  -0.01   0.01     0.08  -0.27  -0.04     0.01  -0.01  -0.00
     3   6    -0.06   0.05   0.00     0.15   0.07   0.03     0.02   0.01   0.00
     4   6     0.02  -0.09  -0.03    -0.09  -0.20  -0.05    -0.02  -0.01  -0.00
     5   6     0.01  -0.04  -0.01    -0.17   0.10  -0.00    -0.04   0.01  -0.00
     6   6     0.06   0.06   0.02     0.16   0.04   0.03     0.03  -0.01   0.00
     7   6     0.05   0.06   0.02    -0.03  -0.07  -0.02     0.01  -0.01  -0.00
     8   1     0.15   0.14   0.04     0.09   0.06   0.02     0.00   0.00  -0.00
     9   1    -0.38   0.26  -0.00     0.07  -0.09  -0.01     0.03  -0.04  -0.00
    10   1    -0.35  -0.10  -0.06     0.13   0.02   0.02    -0.02  -0.03  -0.01
    11   6    -0.07   0.05  -0.01     0.00   0.03  -0.00     0.02  -0.00   0.01
    12   6     0.02   0.01   0.02    -0.02   0.05  -0.00     0.04  -0.12   0.04
    13   6     0.00  -0.00   0.01     0.00  -0.00   0.02    -0.01  -0.00  -0.03
    14   1     0.45  -0.24   0.01     0.36  -0.13  -0.03    -0.02   0.02   0.00
    15   1    -0.05  -0.06  -0.03     0.13  -0.18   0.01    -0.34   0.46   0.02
    16   1    -0.05   0.04   0.00     0.12  -0.10   0.09    -0.24   0.35  -0.32
    17   1     0.02  -0.05  -0.03    -0.02  -0.21   0.04     0.04   0.57  -0.19
    18   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    20   1     0.01  -0.00   0.04     0.00   0.01   0.01    -0.01  -0.00  -0.04
    21   6     0.02  -0.01  -0.00     0.03  -0.04  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.12  -0.03     0.01   0.11   0.02    -0.01  -0.01  -0.00
    23   6    -0.07   0.06   0.00    -0.05   0.00  -0.01    -0.00   0.01   0.00
    24   8     0.02   0.02   0.01    -0.00  -0.01  -0.00     0.01  -0.00   0.00
    25   6    -0.02   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.22  -0.04  -0.03    -0.29  -0.18  -0.07    -0.04  -0.03  -0.01
    27   1    -0.30   0.24   0.01     0.06  -0.07  -0.01    -0.01   0.00  -0.00
    28   1     0.16   0.16   0.05    -0.41  -0.14  -0.07    -0.04  -0.00  -0.01
    29   1    -0.02  -0.01  -0.00     0.01   0.04   0.01    -0.00  -0.01  -0.00
    30   1     0.07  -0.02  -0.01    -0.05   0.01   0.01     0.02  -0.01   0.00
    31   1     0.07  -0.02   0.02    -0.05   0.02  -0.02     0.02  -0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1427.1913              1454.1039              1476.8079
 Red. masses --      3.3694                 3.6749                 1.2392
 Frc consts  --      4.0436                 4.5781                 1.5924
 IR Inten    --     75.6317                11.1073                 6.1647
 RamAct Fr= 1--     98.8739               171.8394                10.2559
  Dep-P Fr= 1--      0.1927                 0.2299                 0.6597
  Dep-U Fr= 1--      0.3231                 0.3739                 0.7949
 Alpha2 Fr= 1--      1.3689                 2.1531                 0.0165
 Beta2  Fr= 1--      5.3250                10.7071                 1.3588
 AlphaG Fr= 1--     -0.1694                -0.5925                 0.0084
 Gamma2 Fr= 1--      0.3926                 2.0672                 2.3720
 Delta2 Fr= 1--      8.6069                -0.3053                 0.3223
 Raman1 Fr= 1--     395.496                687.358                 41.024
 ROA1   Fr= 1--     313.111                188.677                238.027
 CID1   Fr= 1--       0.792                  0.274                  5.802
 Raman2 Fr= 1--      63.900                128.485                 16.306
 ROA2   Fr= 1--     -59.433                 52.054                 54.350
 CID2   Fr= 1--      -0.930                  0.405                  3.333
 Raman3 Fr= 1--     127.800                256.970                 32.611
 ROA3   Fr= 1--     313.111                188.677                238.027
 CID3   Fr= 1--       2.450                  0.734                  7.299
 RC180  Fr= 1--      -0.354                 -0.252                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.19   0.00  -0.02     0.02  -0.00   0.00
     2   6     0.05  -0.10  -0.01     0.18  -0.01   0.02    -0.00   0.02   0.00
     3   6    -0.10  -0.07  -0.02     0.11  -0.06   0.00     0.02   0.02   0.00
     4   6     0.08   0.02   0.01     0.04   0.19   0.04    -0.03   0.00  -0.00
     5   6     0.13  -0.04   0.01    -0.12  -0.05  -0.02    -0.01  -0.02  -0.00
     6   6    -0.13   0.05  -0.01     0.10  -0.00   0.01     0.04   0.01   0.01
     7   6    -0.15   0.02  -0.01    -0.12   0.02  -0.01    -0.00  -0.03  -0.00
     8   1     0.52   0.16   0.09    -0.32  -0.23  -0.08    -0.10  -0.03  -0.02
     9   1    -0.17   0.21   0.02     0.11  -0.24  -0.03    -0.08   0.04  -0.00
    10   1     0.23   0.21   0.07    -0.13  -0.10  -0.03    -0.14  -0.06  -0.03
    11   6    -0.04   0.01   0.00     0.02  -0.05  -0.01     0.01  -0.00   0.00
    12   6     0.02  -0.03   0.02     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.04  -0.03   0.00    -0.33   0.12   0.01     0.00  -0.00   0.00
    15   1    -0.13   0.11  -0.02     0.04  -0.07  -0.02     0.03   0.01   0.02
    16   1    -0.05   0.08  -0.07    -0.02  -0.06   0.07    -0.00   0.02  -0.02
    17   1     0.02   0.09  -0.09    -0.01  -0.04   0.06    -0.01   0.00   0.03
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
    21   6     0.16  -0.09   0.00     0.16   0.02   0.02    -0.04   0.04   0.00
    22   6     0.13   0.14   0.04     0.00  -0.15  -0.03    -0.01  -0.02  -0.00
    23   6    -0.14  -0.10  -0.03    -0.15   0.03  -0.01    -0.03  -0.01  -0.00
    24   8    -0.06   0.00  -0.01    -0.00   0.04   0.01     0.03  -0.02   0.00
    25   6     0.04  -0.04  -0.00    -0.03  -0.01  -0.00     0.05  -0.08  -0.01
    26   1     0.01   0.10   0.02     0.10   0.13   0.03     0.12   0.02   0.02
    27   1    -0.11   0.14   0.01    -0.11   0.26   0.03     0.11  -0.08  -0.00
    28   1     0.30   0.06   0.05     0.36   0.23   0.09     0.14   0.06   0.03
    29   1    -0.00   0.14   0.02    -0.01  -0.11  -0.02    -0.08   0.56   0.09
    30   1    -0.16   0.14  -0.03     0.14   0.05  -0.05    -0.31   0.40  -0.13
    31   1    -0.17   0.13   0.04     0.12   0.02   0.09    -0.35   0.34   0.18
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1493.4721              1497.9606              1506.0665
 Red. masses --      1.0460                 1.0491                 1.0643
 Frc consts  --      1.3746                 1.3870                 1.4224
 IR Inten    --      8.7972                11.2825                37.1904
 RamAct Fr= 1--      9.5556                 4.8299                 2.1645
  Dep-P Fr= 1--      0.7491                 0.7490                 0.7241
  Dep-U Fr= 1--      0.8566                 0.8565                 0.8400
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0010
 Beta2  Fr= 1--      1.3642                 0.6894                 0.3030
 AlphaG Fr= 1--     -0.0107                -0.0043                 0.0038
 Gamma2 Fr= 1--     -0.4784                 0.1446                -0.5756
 Delta2 Fr= 1--     -0.3143                -1.3563                -0.0499
 Raman1 Fr= 1--      38.222                 19.320                  8.658
 ROA1   Fr= 1--     -55.989                -29.517                -56.857
 CID1   Fr= 1--      -1.465                 -1.528                 -6.567
 Raman2 Fr= 1--      16.370                  8.273                  3.636
 ROA2   Fr= 1--      -8.968                 14.322                -13.416
 CID2   Fr= 1--      -0.548                  1.731                 -3.689
 Raman3 Fr= 1--      32.740                 16.547                  7.273
 ROA3   Fr= 1--     -55.989                -29.517                -56.857
 CID3   Fr= 1--      -1.710                 -1.784                 -7.818
 RC180  Fr= 1--       0.713                  0.713                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.01   0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.02  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.02   0.02   0.01
     9   1    -0.00   0.00  -0.00    -0.03   0.02   0.00     0.03  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.05   0.02   0.01
    11   6     0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.03    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.05  -0.07   0.01     0.03  -0.00  -0.00
    15   1     0.00   0.00   0.00     0.52   0.29   0.35    -0.02   0.03   0.00
    16   1     0.00   0.00  -0.00     0.04   0.32  -0.37     0.05  -0.00  -0.01
    17   1    -0.00  -0.00   0.00    -0.08  -0.16   0.48     0.01  -0.03  -0.05
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    24   8     0.00   0.00  -0.01    -0.01   0.00  -0.00    -0.02  -0.01  -0.00
    25   6     0.01   0.01  -0.06    -0.00   0.00   0.00    -0.04  -0.03  -0.01
    26   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.02  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.03  -0.00
    28   1     0.00   0.00  -0.03     0.01   0.00   0.00    -0.04  -0.01  -0.01
    29   1    -0.09  -0.12   0.70     0.01  -0.04  -0.01     0.04  -0.36  -0.06
    30   1    -0.48   0.07   0.02     0.03  -0.02   0.00     0.36   0.48  -0.26
    31   1     0.47  -0.09   0.11     0.03  -0.02  -0.00     0.27   0.35   0.48
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.3555              1525.3906              1544.4454
 Red. masses --      1.0532                 2.4071                 3.5186
 Frc consts  --      1.4156                 3.2999                 4.9450
 IR Inten    --      7.2695                46.7227                34.2361
 RamAct Fr= 1--     10.4477               139.3243                 0.5086
  Dep-P Fr= 1--      0.4494                 0.2390                 0.3333
  Dep-U Fr= 1--      0.6201                 0.3858                 0.5000
 Alpha2 Fr= 1--      0.0642                 1.7027                 0.0047
 Beta2  Fr= 1--      1.0799                 8.9578                 0.0424
 AlphaG Fr= 1--      0.1597                 0.1873                 0.0385
 Gamma2 Fr= 1--      2.4603                 0.9890                 1.6962
 Delta2 Fr= 1--      2.9283                -1.6616                -0.3277
 Raman1 Fr= 1--      41.791                557.297                  2.034
 ROA1   Fr= 1--     329.899                 41.770                152.345
 CID1   Fr= 1--       7.894                  0.075                 74.884
 Raman2 Fr= 1--      12.958                107.493                  0.509
 ROA2   Fr= 1--      35.622                 37.029                 43.330
 CID2   Fr= 1--       2.749                  0.344                 85.202
 Raman3 Fr= 1--      25.917                214.987                  1.017
 ROA3   Fr= 1--     329.899                 41.770                152.345
 CID3   Fr= 1--      12.729                  0.194                149.782
 RC180  Fr= 1--       0.240                 -0.228                 -0.000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.09   0.03   0.02    -0.12  -0.04  -0.02
     2   6     0.00   0.00   0.00    -0.10  -0.04  -0.02    -0.14  -0.08  -0.03
     3   6     0.00  -0.00   0.00     0.06   0.04   0.01     0.06  -0.05  -0.00
     4   6     0.01   0.01  -0.00    -0.12   0.01  -0.01    -0.04   0.17   0.03
     5   6    -0.00  -0.00  -0.00     0.06  -0.09  -0.01     0.07  -0.14  -0.02
     6   6     0.00  -0.00   0.00     0.09   0.08   0.03     0.11   0.12   0.03
     7   6    -0.00  -0.00  -0.00    -0.10  -0.06  -0.02     0.12   0.10   0.03
     8   1    -0.05  -0.02  -0.01    -0.22  -0.06  -0.03    -0.16  -0.14  -0.04
     9   1     0.01  -0.01  -0.00    -0.36   0.23   0.00    -0.33   0.15  -0.01
    10   1    -0.00  -0.00  -0.00    -0.35  -0.09  -0.06    -0.39  -0.07  -0.06
    11   6    -0.02  -0.01   0.02     0.03  -0.00   0.01     0.02  -0.03  -0.00
    12   6    -0.03   0.00   0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    14   1     0.02   0.02  -0.02     0.02   0.01  -0.00    -0.13   0.04   0.01
    15   1    -0.13   0.36   0.08    -0.07  -0.02  -0.04    -0.00   0.03   0.00
    16   1     0.64   0.02  -0.20     0.01  -0.03   0.04     0.03   0.00  -0.01
    17   1     0.05  -0.39  -0.48     0.01   0.04  -0.07     0.01  -0.03  -0.01
    18   8     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.01     0.01   0.00   0.01    -0.00   0.01  -0.00
    21   6    -0.00   0.00   0.00    -0.05   0.08   0.01     0.04  -0.14  -0.02
    22   6    -0.00  -0.01  -0.00     0.16  -0.01   0.02    -0.06   0.18   0.03
    23   6    -0.00   0.00   0.00    -0.05  -0.04  -0.01     0.09  -0.04   0.00
    24   8     0.00   0.00   0.00    -0.05   0.02  -0.00     0.00  -0.03  -0.00
    25   6     0.00   0.00   0.00    -0.02   0.03   0.00     0.01  -0.01  -0.00
    26   1     0.01   0.00   0.00     0.34   0.10   0.06    -0.40  -0.10  -0.07
    27   1     0.00   0.00   0.00     0.30  -0.19   0.00    -0.28   0.10  -0.02
    28   1     0.01   0.01   0.00     0.21   0.05   0.04    -0.24  -0.18  -0.06
    29   1    -0.01   0.04   0.01     0.03  -0.26  -0.04     0.02  -0.04  -0.00
    30   1    -0.03  -0.04   0.02     0.15  -0.18   0.06     0.02   0.15  -0.06
    31   1    -0.02  -0.03  -0.04     0.16  -0.16  -0.08     0.00   0.12   0.11
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1616.9798              1653.3001              1672.5286
 Red. masses --      6.9561                 5.5336                 6.1136
 Frc consts  --     10.7158                 8.9117                10.0762
 IR Inten    --      2.5330               118.0767                58.5160
 RamAct Fr= 1--     44.5719                 2.7713               175.7240
  Dep-P Fr= 1--      0.1926                 0.6237                 0.4658
  Dep-U Fr= 1--      0.3229                 0.7682                 0.6355
 Alpha2 Fr= 1--      0.6173                 0.0064                 1.0097
 Beta2  Fr= 1--      2.3990                 0.3548                18.6127
 AlphaG Fr= 1--      0.6728                 0.0301                 0.3404
 Gamma2 Fr= 1--     -1.7134                 0.5028                -5.4229
 Delta2 Fr= 1--     -1.8448                -3.3575                 8.1382
 Raman1 Fr= 1--     178.288                 11.085                702.896
 ROA1   Fr= 1--    -223.519                -59.173               -260.179
 CID1   Fr= 1--      -1.254                 -5.338                 -0.370
 Raman2 Fr= 1--      28.788                  4.258                223.352
 ROA2   Fr= 1--     -26.363                 38.927               -195.256
 CID2   Fr= 1--      -0.916                  9.142                 -0.874
 Raman3 Fr= 1--      57.576                  8.516                446.704
 ROA3   Fr= 1--    -223.519                -59.173               -260.179
 CID3   Fr= 1--      -3.882                 -6.949                 -0.582
 RC180  Fr= 1--      -0.354                  0.536                  0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.28   0.04    -0.03   0.01  -0.00    -0.24  -0.06  -0.04
     2   6     0.07  -0.28  -0.04    -0.01   0.01   0.00     0.23   0.05   0.04
     3   6    -0.11  -0.17  -0.04     0.20   0.12   0.05     0.20   0.08   0.04
     4   6     0.04   0.21   0.05    -0.19  -0.11  -0.04    -0.13  -0.06  -0.03
     5   6     0.17  -0.14  -0.01     0.22  -0.05   0.02     0.18  -0.04   0.01
     6   6    -0.13   0.09   0.00    -0.21  -0.01  -0.03    -0.23  -0.04  -0.04
     7   6     0.12  -0.10  -0.00    -0.22  -0.01  -0.03     0.25   0.05   0.04
     8   1     0.35   0.01   0.04    -0.33  -0.07  -0.05    -0.31  -0.10  -0.05
     9   1    -0.17   0.14   0.00    -0.20   0.29   0.03    -0.12   0.20   0.02
    10   1     0.10   0.19   0.05     0.16   0.15   0.05     0.25   0.16   0.06
    11   6    -0.00  -0.02  -0.00     0.03   0.01   0.01     0.01   0.01   0.01
    12   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    14   1    -0.14   0.03   0.01     0.10  -0.01  -0.01     0.07  -0.01  -0.01
    15   1     0.01   0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   1    -0.04   0.01  -0.00     0.01  -0.01   0.00     0.02  -0.00  -0.00
    17   1     0.00   0.00   0.03     0.00   0.03  -0.03     0.00   0.01  -0.02
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.01  -0.00  -0.01     0.01   0.00   0.02     0.01   0.01   0.03
    21   6    -0.18   0.17   0.01     0.23  -0.04   0.02    -0.20   0.04  -0.02
    22   6    -0.05  -0.27  -0.05    -0.19  -0.11  -0.04     0.13   0.07   0.03
    23   6     0.10   0.19   0.05     0.18   0.11   0.04    -0.20  -0.08  -0.04
    24   8     0.03   0.01   0.01     0.03   0.01   0.01    -0.01  -0.01  -0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    26   1    -0.05  -0.18  -0.04     0.16   0.16   0.05    -0.28  -0.17  -0.06
    27   1     0.18  -0.13  -0.00    -0.17   0.29   0.03     0.09  -0.21  -0.03
    28   1    -0.35   0.03  -0.04    -0.30  -0.05  -0.05     0.29   0.10   0.05
    29   1    -0.03   0.05   0.01    -0.01   0.10   0.02     0.00  -0.05  -0.01
    30   1     0.01  -0.01  -0.00    -0.05   0.05  -0.03     0.02  -0.05   0.02
    31   1     0.01  -0.01   0.00    -0.05   0.05   0.03     0.03  -0.04  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.0161              3011.4000              3045.9794
 Red. masses --     10.0676                 1.0345                 1.0361
 Frc consts  --     19.9518                 5.5273                 5.6636
 IR Inten    --    481.7374                47.0011                12.7207
 RamAct Fr= 1--     13.5490               201.2052               190.9976
  Dep-P Fr= 1--      0.3352                 0.0484                 0.0160
  Dep-U Fr= 1--      0.5020                 0.0924                 0.0315
 Alpha2 Fr= 1--      0.1247                 3.9893                 4.0885
 Beta2  Fr= 1--      1.1337                 3.0979                 1.0023
 AlphaG Fr= 1--      0.2862                -0.5268                 0.4919
 Gamma2 Fr= 1--      0.8183                -1.4564                 1.9845
 Delta2 Fr= 1--      0.4844                 0.9356                 0.6736
 Raman1 Fr= 1--      54.196                804.821                763.990
 ROA1   Fr= 1--      94.056               -109.875                212.065
 CID1   Fr= 1--       1.735                 -0.137                  0.278
 Raman2 Fr= 1--      13.604                 37.174                 12.028
 ROA2   Fr= 1--      15.763                -42.438                 42.238
 CID2   Fr= 1--       1.159                 -1.142                  3.512
 Raman3 Fr= 1--      27.209                 74.348                 24.056
 ROA3   Fr= 1--      94.056               -109.875                212.065
 CID3   Fr= 1--       3.457                 -1.478                  8.815
 RC180  Fr= 1--       0.004                 -0.815                 -0.937
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.02   0.00
     9   1    -0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.04  -0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    12   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.01
    13   6     0.69   0.22  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.13   0.06  -0.11    -0.00  -0.00  -0.00     0.04   0.08   0.08
    15   1    -0.06   0.06  -0.01     0.00   0.00  -0.00    -0.25  -0.15   0.50
    16   1     0.00   0.00  -0.02     0.00   0.00   0.00    -0.15  -0.45  -0.47
    17   1     0.02   0.04  -0.05    -0.00  -0.00  -0.00     0.44   0.02   0.06
    18   8    -0.44  -0.14   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.08  -0.00  -0.45     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.29  -0.05  -0.05    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.10   0.24   0.63     0.00   0.00   0.00
    31   1    -0.00  -0.00  -0.00     0.23   0.43  -0.47     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.4980              3068.0720              3109.7275
 Red. masses --      1.0831                 1.1058                 1.1017
 Frc consts  --      5.9929                 6.1328                 6.2771
 IR Inten    --      5.5271                32.6950                18.8235
 RamAct Fr= 1--     76.1742                47.1507                50.8852
  Dep-P Fr= 1--      0.3156                 0.7499                 0.3733
  Dep-U Fr= 1--      0.4798                 0.8571                 0.5437
 Alpha2 Fr= 1--      0.7452                 0.0001                 0.4135
 Beta2  Fr= 1--      6.0914                 6.7352                 4.6109
 AlphaG Fr= 1--      1.6547                -0.0616                -1.2442
 Gamma2 Fr= 1--     -1.4686                -2.7376                 2.8891
 Delta2 Fr= 1--      0.3724                -2.1244                 1.0872
 Raman1 Fr= 1--     304.697                188.603                203.541
 ROA1   Fr= 1--    -129.065               -330.791                312.145
 CID1   Fr= 1--      -0.424                 -1.754                  1.534
 Raman2 Fr= 1--      73.097                 80.822                 55.331
 ROA2   Fr= 1--     -38.225                -48.707                 60.640
 CID2   Fr= 1--      -0.523                 -0.603                  1.096
 Raman3 Fr= 1--     146.195                161.645                110.663
 ROA3   Fr= 1--    -129.065               -330.791                312.145
 CID3   Fr= 1--      -0.883                 -2.046                  2.821
 RC180  Fr= 1--      -0.040                  0.714                  0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.02  -0.04  -0.00
     9   1    -0.02  -0.02  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.03  -0.05  -0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.01  -0.00   0.02    -0.00   0.00   0.00    -0.00  -0.03  -0.09
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.32   0.63   0.66     0.00   0.00   0.00     0.06   0.13   0.13
    15   1     0.08   0.05  -0.15     0.00   0.00  -0.00    -0.29  -0.18   0.55
    16   1    -0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.16   0.49   0.48
    17   1    -0.14  -0.00  -0.01     0.00   0.00   0.00     0.19  -0.00   0.00
    18   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.02  -0.09    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.12   0.26   0.64     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00    -0.26  -0.46   0.47     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.4157              3140.3598              3163.1443
 Red. masses --      1.1022                 1.0993                 1.0864
 Frc consts  --      6.3516                 6.3876                 6.4042
 IR Inten    --     14.8150                22.9133                 3.8318
 RamAct Fr= 1--    127.1468               188.6374                60.5306
  Dep-P Fr= 1--      0.5498                 0.4058                 0.6961
  Dep-U Fr= 1--      0.7095                 0.5773                 0.8208
 Alpha2 Fr= 1--      0.4868                 1.3687                 0.0570
 Beta2  Fr= 1--     15.0347                18.1493                 8.2806
 AlphaG Fr= 1--      0.3459                 0.1890                -0.0113
 Gamma2 Fr= 1--     -4.7423                 0.7521                -0.0943
 Delta2 Fr= 1--      3.3586                 0.7088                 2.0030
 Raman1 Fr= 1--     508.587                754.550                242.122
 ROA1   Fr= 1--    -347.788                 94.877                 55.038
 CID1   Fr= 1--      -0.684                  0.126                  0.227
 Raman2 Fr= 1--     180.416                217.791                 99.367
 ROA2   Fr= 1--    -140.685                 12.379                -18.288
 CID2   Fr= 1--      -0.780                  0.057                 -0.184
 Raman3 Fr= 1--     360.833                435.583                198.734
 ROA3   Fr= 1--    -347.788                 94.877                 55.038
 CID3   Fr= 1--      -0.964                  0.218                  0.277
 RC180  Fr= 1--       0.419                  0.155                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.05   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.01
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.45  -0.58  -0.16
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.25   0.61   0.08
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.09  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.02   0.03   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    15   1     0.18   0.12  -0.40    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.02   0.12   0.13    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.86   0.02   0.11    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00    -0.09  -0.03  -0.02     0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.01  -0.02  -0.00
    29   1     0.00   0.00   0.00     0.93   0.16   0.15    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.02   0.06   0.18    -0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.06   0.12  -0.14    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3172.0586              3178.0321              3180.5109
 Red. masses --      1.0884                 1.0890                 1.0944
 Frc consts  --      6.4527                 6.4802                 6.5228
 IR Inten    --      2.8355                13.9795                 8.3039
 RamAct Fr= 1--     35.5944                56.8452               186.1742
  Dep-P Fr= 1--      0.6165                 0.5515                 0.1625
  Dep-U Fr= 1--      0.7628                 0.7109                 0.2795
 Alpha2 Fr= 1--      0.0871                 0.2155                 2.7881
 Beta2  Fr= 1--      4.5252                 6.7352                 8.6731
 AlphaG Fr= 1--      0.0213                 0.0659                 0.0181
 Gamma2 Fr= 1--     -0.1663                 2.0812                -2.2535
 Delta2 Fr= 1--     -0.8353                 1.4099                -3.0578
 Raman1 Fr= 1--     142.378                227.381                744.697
 ROA1   Fr= 1--     -42.696                244.910               -314.184
 CID1   Fr= 1--      -0.300                  1.077                 -0.422
 Raman2 Fr= 1--      54.302                 80.823                104.077
 ROA2   Fr= 1--       2.691                 38.669                -29.621
 CID2   Fr= 1--       0.050                  0.478                 -0.285
 Raman3 Fr= 1--     108.604                161.646                208.154
 ROA3   Fr= 1--     -42.696                244.910               -314.184
 CID3   Fr= 1--      -0.393                  1.515                 -1.509
 RC180  Fr= 1--       0.526                  0.422                 -0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.02   0.00     0.03  -0.07  -0.01    -0.01   0.02   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
     6   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.03  -0.06  -0.01
     7   6     0.03  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00   0.00
     8   1     0.10  -0.26  -0.03    -0.34   0.84   0.10     0.10  -0.25  -0.03
     9   1    -0.01  -0.01  -0.00     0.12   0.16   0.04     0.38   0.48   0.13
    10   1     0.00  -0.01  -0.00    -0.07   0.17   0.02    -0.28   0.66   0.09
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.00  -0.01  -0.01
    17   1    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.00  -0.00   0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.35   0.84   0.11    -0.09   0.23   0.03     0.02  -0.05  -0.01
    27   1    -0.18  -0.22  -0.06    -0.06  -0.08  -0.02     0.02   0.02   0.01
    28   1    -0.01   0.02   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.0248              3206.0308              3680.6668
 Red. masses --      1.0937                 1.0893                 1.0651
 Frc consts  --      6.5988                 6.5969                 8.5016
 IR Inten    --      4.9722                 8.5404               203.7447
 RamAct Fr= 1--    192.7310                83.8699               154.3959
  Dep-P Fr= 1--      0.2219                 0.2689                 0.2720
  Dep-U Fr= 1--      0.3632                 0.4238                 0.4276
 Alpha2 Fr= 1--      2.4682                 0.9423                 1.7192
 Beta2  Fr= 1--     11.6660                 5.9241                11.0044
 AlphaG Fr= 1--      0.2694                -0.1071                 2.8527
 Gamma2 Fr= 1--      2.0512                -1.0667                32.8578
 Delta2 Fr= 1--      0.9557                -0.0444                 2.7255
 Raman1 Fr= 1--     770.924                335.480                617.584
 ROA1   Fr= 1--     227.495               -103.826               3241.564
 CID1   Fr= 1--       0.295                 -0.309                  5.249
 Raman2 Fr= 1--     139.991                 71.089                132.052
 ROA2   Fr= 1--      41.582                -25.246                766.783
 CID2   Fr= 1--       0.297                 -0.355                  5.807
 Raman3 Fr= 1--     279.983                142.178                264.105
 ROA3   Fr= 1--     227.495               -103.826               3241.564
 CID3   Fr= 1--       0.813                 -0.730                 12.274
 RC180  Fr= 1--      -0.274                 -0.152                 -0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.02   0.05   0.01     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02   0.01
    20   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.95   0.25  -0.18
    21   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00     0.03  -0.08  -0.01     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.12   0.28   0.03     0.01  -0.02  -0.00    -0.00   0.00   0.00
    27   1     0.58   0.72   0.20     0.01   0.01   0.00     0.00   0.00   0.00
    28   1     0.00  -0.01  -0.00    -0.37   0.91   0.12     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1309.984398649.942099137.78575
           X            0.99985  -0.01540   0.00853
           Y            0.01536   0.99987   0.00518
           Z           -0.00860  -0.00505   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06612     0.01001     0.00948
 Rotational constants (GHZ):           1.37768     0.20864     0.19750
 Zero-point vibrational energy     658875.7 (Joules/Mol)
                                  157.47507 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     32.48    57.59    62.47   134.72   186.70
          (Kelvin)            200.96   267.20   288.93   318.38   350.30
                              373.84   407.74   470.71   512.51   561.64
                              594.33   622.74   700.35   709.02   758.95
                              772.49   824.00   861.01   899.87   933.66
                              988.48  1028.11  1080.36  1109.38  1130.73
                             1173.24  1192.11  1205.02  1246.82  1271.32
                             1327.29  1365.89  1387.93  1397.39  1411.77
                             1458.65  1527.51  1552.19  1570.09  1654.46
                             1689.27  1700.00  1713.51  1721.26  1724.41
                             1758.50  1801.16  1866.99  1873.33  1877.69
                             1910.74  1931.44  1993.76  2024.87  2032.58
                             2053.41  2092.13  2124.80  2148.77  2155.23
                             2166.89  2173.06  2194.70  2222.11  2326.47
                             2378.73  2406.40  2638.74  4332.73  4382.48
                             4409.13  4414.27  4474.20  4499.65  4518.28
                             4551.06  4563.88  4572.48  4576.05  4604.12
                             4612.76  5295.66
 
 Zero-point correction=                           0.250952 (Hartree/Particle)
 Thermal correction to Energy=                    0.266094
 Thermal correction to Enthalpy=                  0.267038
 Thermal correction to Gibbs Free Energy=         0.207305
 Sum of electronic and zero-point Energies=           -767.721412
 Sum of electronic and thermal Energies=              -767.706270
 Sum of electronic and thermal Enthalpies=            -767.705326
 Sum of electronic and thermal Free Energies=         -767.765059
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.976             58.474            125.719
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.004
 Vibrational            165.199             52.512             50.513
 Vibration     1          0.593              1.985              6.394
 Vibration     2          0.594              1.981              5.258
 Vibration     3          0.595              1.980              5.097
 Vibration     4          0.603              1.954              3.583
 Vibration     5          0.612              1.924              2.950
 Vibration     6          0.615              1.914              2.808
 Vibration     7          0.632              1.859              2.270
 Vibration     8          0.638              1.839              2.126
 Vibration     9          0.648              1.809              1.949
 Vibration    10          0.659              1.774              1.777
 Vibration    11          0.668              1.746              1.663
 Vibration    12          0.682              1.704              1.513
 Vibration    13          0.711              1.621              1.274
 Vibration    14          0.732              1.562              1.139
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.777              1.442              0.916
 Vibration    17          0.794              1.399              0.849
 Vibration    18          0.843              1.279              0.692
 Vibration    19          0.848              1.266              0.676
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.892              1.168              0.572
 Vibration    22          0.929              1.090              0.499
 Vibration    23          0.956              1.035              0.452
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.442994D-95        -95.353602       -219.559783
 Total V=0       0.119242D+21         20.076429         46.227685
 Vib (Bot)       0.886501-110       -110.052321       -253.404833
 Vib (Bot)    1  0.917503D+01          0.962608          2.216486
 Vib (Bot)    2  0.516911D+01          0.713416          1.642701
 Vib (Bot)    3  0.476370D+01          0.677944          1.561024
 Vib (Bot)    4  0.219433D+01          0.341303          0.785879
 Vib (Bot)    5  0.157113D+01          0.196213          0.451797
 Vib (Bot)    6  0.145595D+01          0.163146          0.375657
 Vib (Bot)    7  0.107934D+01          0.033160          0.076354
 Vib (Bot)    8  0.992602D+00         -0.003225         -0.007426
 Vib (Bot)    9  0.893387D+00         -0.048960         -0.112735
 Vib (Bot)   10  0.804081D+00         -0.094700         -0.218056
 Vib (Bot)   11  0.747583D+00         -0.126340         -0.290910
 Vib (Bot)   12  0.677198D+00         -0.169284         -0.389792
 Vib (Bot)   13  0.572107D+00         -0.242523         -0.558429
 Vib (Bot)   14  0.515841D+00         -0.287484         -0.661957
 Vib (Bot)   15  0.459794D+00         -0.337436         -0.776976
 Vib (Bot)   16  0.427307D+00         -0.369260         -0.850253
 Vib (Bot)   17  0.401675D+00         -0.396125         -0.912111
 Vib (Bot)   18  0.341585D+00         -0.466501         -1.074158
 Vib (Bot)   19  0.335639D+00         -0.474128         -1.091719
 Vib (Bot)   20  0.303890D+00         -0.517284         -1.191089
 Vib (Bot)   21  0.295952D+00         -0.528778         -1.217557
 Vib (Bot)   22  0.268013D+00         -0.571844         -1.316720
 Vib (Bot)   23  0.249920D+00         -0.602199         -1.386615
 Vib (V=0)       0.238622D+06          5.377710         12.382635
 Vib (V=0)    1  0.968864D+01          0.986263          2.270955
 Vib (V=0)    2  0.569324D+01          0.755360          1.739280
 Vib (V=0)    3  0.528987D+01          0.723445          1.665793
 Vib (V=0)    4  0.275058D+01          0.439424          1.011811
 Vib (V=0)    5  0.214877D+01          0.332191          0.764898
 Vib (V=0)    6  0.203941D+01          0.309505          0.712661
 Vib (V=0)    7  0.168953D+01          0.227766          0.524451
 Vib (V=0)    8  0.161142D+01          0.207209          0.477117
 Vib (V=0)    9  0.152379D+01          0.182924          0.421199
 Vib (V=0)   10  0.144686D+01          0.160427          0.369396
 Vib (V=0)   11  0.139938D+01          0.145935          0.336028
 Vib (V=0)   12  0.134178D+01          0.127682          0.293999
 Vib (V=0)   13  0.125981D+01          0.100304          0.230958
 Vib (V=0)   14  0.121840D+01          0.085788          0.197535
 Vib (V=0)   15  0.117927D+01          0.071614          0.164898
 Vib (V=0)   16  0.115772D+01          0.063602          0.146450
 Vib (V=0)   17  0.114136D+01          0.057423          0.132221
 Vib (V=0)   18  0.110554D+01          0.043575          0.100335
 Vib (V=0)   19  0.110221D+01          0.042263          0.097315
 Vib (V=0)   20  0.108511D+01          0.035472          0.081678
 Vib (V=0)   21  0.108102D+01          0.033835          0.077908
 Vib (V=0)   22  0.106730D+01          0.028287          0.065134
 Vib (V=0)   23  0.105898D+01          0.024888          0.057307
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.364255D+07          6.561406         15.108195
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          221111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     8          008776421664 1                              3751421099752108420095299987597618764286321875184297329831952864208439442
     1          601823070846 1                              4337450683747376285282296124019241159347895611579583773733067303116004303
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                       X                              XXX  X X    X    X  XX         X                  X                      
     X                                                      X X         X    X  XX                                                   
     X                                                      X X              X  XX                                                   
     X                                                      X X              X   X                                                   
     X                                                      X                X   X                                                   
     X                                                      X                X                                                       
     X                                                      X                X                                                       
                                                            X                X                                                       
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002867   -0.000006315   -0.000001209
      2        6          -0.000006112   -0.000001457   -0.000000489
      3        6           0.000005874    0.000006898    0.000001326
      4        6          -0.000000732    0.000001262   -0.000005608
      5        6          -0.000006101    0.000002031    0.000001535
      6        6           0.000003535    0.000004410   -0.000000001
      7        6           0.000006092    0.000001068    0.000000378
      8        1          -0.000003108   -0.000002557    0.000002096
      9        1           0.000001599   -0.000000717   -0.000001173
     10        1          -0.000001642   -0.000000940    0.000000655
     11        6           0.000008422   -0.000026061    0.000009020
     12        6          -0.000004952    0.000002803    0.000007718
     13        6          -0.000041618    0.000012249   -0.000038722
     14        1           0.000003857    0.000003827   -0.000005627
     15        1           0.000000182    0.000001531   -0.000002109
     16        1           0.000002765   -0.000000756    0.000000678
     17        1           0.000000837   -0.000002417   -0.000001283
     18        8           0.000018754    0.000002386    0.000002603
     19        8           0.000012064   -0.000000743    0.000031929
     20        1           0.000006529    0.000002776   -0.000004250
     21        6          -0.000005283    0.000004156    0.000000104
     22        6          -0.000000507   -0.000003531   -0.000000955
     23        6          -0.000000324    0.000000544    0.000000174
     24        8          -0.000004159    0.000006236    0.000002577
     25        6           0.000012160   -0.000012231   -0.000001075
     26        1          -0.000001735   -0.000000332   -0.000000029
     27        1          -0.000000255   -0.000001144   -0.000000213
     28        1          -0.000003633    0.000002337    0.000000139
     29        1           0.000000205    0.000000261    0.000000440
     30        1          -0.000000161    0.000001824    0.000001717
     31        1           0.000000315    0.000002602   -0.000000345
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041618 RMS     0.000008548
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.295492D+03  0.797649D+01  0.152522D+02
      2   0.797649D+01  0.175291D+03  0.841090D+01
      3   0.152522D+02  0.841090D+01  0.121630D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.140214D+01 -0.301929D+02 -0.105021D+01
      2   0.640397D+02  0.193949D+02 -0.124314D+02
      3   0.408061D+02 -0.583101D+02 -0.167704D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.269822D+03 -0.547438D+02  0.677908D+02
      2  -0.115683D+03  0.559293D+02 -0.160086D+02
      3  -0.154139D+03 -0.118547D+01 -0.517822D+02
      4  -0.479818D+02  0.123220D+03  0.489846D+02
      5  -0.351295D+01  0.519763D+02 -0.331802D+02
      6   0.195105D+02 -0.539692D+02 -0.193406D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340706D+02 -0.314452D+01 -0.317976D+01  0.423080D+02  0.930284D+01
      2  -0.314452D+01 -0.789074D+00 -0.904275D+00  0.930284D+01  0.951171D+01
      3  -0.317976D+01 -0.904275D+00 -0.195092D+00  0.608934D+01  0.245122D+01
                 6             7             8             9            10 
      1   0.608934D+01  0.432684D+01  0.129442D+01 -0.250461D+00  0.388812D+02
      2   0.245122D+01  0.129442D+01  0.117694D+01  0.154830D+01  0.377864D+01
      3   0.389003D+00 -0.250461D+00  0.154830D+01  0.474158D+00  0.370804D+01
                11            12            13            14            15 
      1   0.377864D+01  0.370804D+01 -0.424884D+02 -0.878386D+01 -0.612664D+01
      2   0.425532D+01  0.100035D+01 -0.878386D+01 -0.809486D+01 -0.260001D+01
      3   0.100035D+01 -0.437623D-01 -0.612664D+01 -0.260001D+01 -0.456266D+00
                16            17            18            19            20 
      1  -0.294876D+01 -0.110376D+01  0.566076D+00  0.361913D+02  0.524687D+01
      2  -0.110376D+01 -0.464937D+00 -0.136946D+01  0.524687D+01  0.408190D+01
      3   0.566076D+00 -0.136946D+01 -0.467754D+00  0.338841D+01  0.964291D+00
                21            22            23            24            25 
      1   0.338841D+01  0.192418D+02  0.221806D+01  0.730394D+00  0.856647D+01
      2   0.964291D+00  0.221806D+01  0.419703D+01  0.300002D+00  0.269594D+00
      3   0.380048D+00  0.730394D+00  0.300002D+00  0.214537D+01 -0.803713D+00
                26            27            28            29            30 
      1   0.269594D+00 -0.803713D+00 -0.431368D+02 -0.459456D+01 -0.119428D+01
      2  -0.212342D-01  0.321545D+01 -0.459456D+01 -0.278188D+01 -0.304021D+00
      3   0.321545D+01  0.964374D+00 -0.119428D+01 -0.304021D+00 -0.209114D+01
                31            32            33            34            35 
      1  -0.112918D+02 -0.735402D+00  0.214914D+00 -0.577391D+01  0.358869D+00
      2  -0.735402D+00 -0.844806D+01 -0.225375D+01  0.358869D+00 -0.219699D+01
      3   0.214914D+00 -0.225375D+01 -0.554407D+00 -0.547015D+01 -0.120675D+01
                36            37            38            39            40 
      1  -0.547015D+01 -0.842941D+01 -0.138729D+00 -0.355699D+00 -0.572605D+01
      2  -0.120675D+01 -0.138729D+00 -0.881660D+01 -0.142504D+01 -0.173927D+01
      3  -0.160939D+01 -0.355699D+00 -0.142504D+01 -0.269761D+01  0.557361D+00
                41            42            43            44            45 
      1  -0.173927D+01  0.557361D+00 -0.124566D+01  0.107580D+01 -0.416584D+01
      2   0.320267D+01  0.143087D+01  0.107580D+01  0.287153D+00 -0.234655D+01
      3   0.143087D+01 -0.576056D+00 -0.416584D+01 -0.234655D+01 -0.293604D+01
                46            47            48            49            50 
      1   0.128674D+02  0.222283D+01  0.184760D+01 -0.179753D-01 -0.776168D+00
      2   0.222283D+01  0.624714D+01  0.217655D+01 -0.776168D+00 -0.107354D+00
      3   0.184760D+01  0.217655D+01  0.303755D+01 -0.667615D-01  0.100835D+01
                51            52            53            54            55 
      1  -0.667615D-01  0.146950D+01  0.405700D+00  0.166635D+01 -0.138008D+02
      2   0.100835D+01  0.405700D+00  0.222293D+01 -0.328766D+01 -0.385637D+01
      3  -0.132061D+01  0.166635D+01 -0.328766D+01 -0.115150D+01 -0.196562D+01
                56            57            58            59            60 
      1  -0.385637D+01 -0.196562D+01 -0.216024D+01  0.429278D+00 -0.279173D+00
      2  -0.951859D+01 -0.183687D+01  0.429278D+00 -0.707201D+00 -0.948532D+00
      3  -0.183687D+01 -0.289820D+01 -0.279173D+00 -0.948532D+00  0.148617D+01
                61            62            63            64            65 
      1  -0.190714D+01 -0.562245D+00 -0.173836D+01 -0.181588D+01  0.228890D+01
      2  -0.562245D+00 -0.270111D+01  0.325493D+01  0.228890D+01 -0.128838D+01
      3  -0.173836D+01  0.325493D+01  0.598517D+00 -0.137186D-01  0.161967D+00
                66            67            68            69            70 
      1  -0.137186D-01  0.316377D+01 -0.305873D+01 -0.796115D-01 -0.196202D+00
      2   0.161967D+00 -0.305873D+01  0.607769D+01  0.250294D+00 -0.999639D-01
      3  -0.130006D+00 -0.796115D-01  0.250294D+00  0.689428D+00  0.165802D-02
                71            72            73            74            75 
      1  -0.999639D-01  0.165802D-02 -0.516271D+01 -0.304517D+01 -0.117534D+01
      2   0.762357D+00  0.214973D+00 -0.304517D+01 -0.306682D+01 -0.906937D+00
      3   0.214973D+00  0.683308D-01 -0.117534D+01 -0.906937D+00 -0.731361D+00
                76            77            78            79            80 
      1  -0.329428D+01 -0.414037D+01 -0.119263D+01 -0.156992D+01 -0.125978D+01
      2  -0.414037D+01 -0.610463D+01 -0.157035D+01 -0.125978D+01 -0.140101D+01
      3  -0.119263D+01 -0.157035D+01 -0.113257D+01  0.318422D-01 -0.679482D+00
                81            82            83            84            85 
      1   0.318422D-01  0.151010D+01 -0.184695D+01 -0.212778D+00 -0.900525D+00
      2  -0.679482D+00 -0.184695D+01  0.275753D+01  0.339042D+00  0.211291D+01
      3  -0.321783D+00 -0.212778D+00  0.339042D+00  0.298634D+00  0.427519D+00
                86            87            88            89            90 
      1   0.211291D+01  0.427519D+00 -0.310383D-01  0.167309D+00 -0.168788D-01
      2  -0.947375D+01 -0.144603D+01  0.167309D+00 -0.142314D+01 -0.453758D+00
      3  -0.144603D+01 -0.104395D+01 -0.168788D-01 -0.453758D+00 -0.266990D+00
                91            92            93            94            95 
      1   0.189481D+02  0.323812D+01 -0.183790D+01  0.237659D+01  0.296880D+01
      2   0.323812D+01  0.172590D+01 -0.805775D+00  0.296880D+01 -0.129136D+01
      3  -0.183790D+01 -0.805775D+00  0.309886D+01 -0.331167D+00  0.316193D+01
                96            97            98            99           100 
      1  -0.331167D+00 -0.658386D+01 -0.134835D+01  0.568250D+01  0.780489D+01
      2   0.316193D+01 -0.134835D+01  0.185635D+01  0.231748D+01 -0.572652D+00
      3   0.129149D+01  0.568250D+01  0.231748D+01 -0.499021D+00  0.185332D+01
               101           102           103           104           105 
      1  -0.572652D+00  0.185332D+01  0.271700D+01 -0.262352D+01  0.112801D+01
      2  -0.224564D+01  0.128864D+01 -0.262352D+01  0.144668D+01 -0.309737D+01
      3   0.128864D+01 -0.330826D+01  0.112801D+01 -0.309737D+01 -0.201243D+01
               106           107           108           109           110 
      1   0.197304D+01  0.121597D+01 -0.226745D+01  0.224014D+01  0.155074D+01
      2   0.121597D+01 -0.213234D+01 -0.314073D+01  0.155074D+01  0.468548D+00
      3  -0.226745D+01 -0.314073D+01  0.289183D+01  0.230699D+00 -0.268928D+00
               111           112           113           114           115 
      1   0.230699D+00  0.989822D+00 -0.648296D+00  0.277510D+00  0.114565D+02
      2  -0.268928D+00 -0.648296D+00 -0.101700D-01 -0.143864D+00  0.118927D+01
      3  -0.140743D+01  0.277510D+00 -0.143864D+00 -0.802762D+00 -0.490714D+01
               116           117           118           119           120 
      1   0.118927D+01 -0.490714D+01 -0.264010D+01 -0.166079D+01 -0.141389D+01
      2   0.846122D+00 -0.660997D+00 -0.166079D+01 -0.980680D+00 -0.395718D+00
      3  -0.660997D+00  0.746802D+00 -0.141389D+01 -0.395718D+00 -0.153329D+01
               121           122           123           124           125 
      1  -0.518265D+01 -0.186582D+01 -0.104644D+01 -0.226229D+01 -0.530224D+00
      2  -0.186582D+01 -0.264607D+01 -0.207512D+01 -0.530224D+00 -0.202077D+01
      3  -0.104644D+01 -0.207512D+01 -0.201933D+01 -0.248075D+01 -0.190012D+01
               126           127           128           129           130 
      1  -0.248075D+01  0.691453D+00  0.309804D+00 -0.125851D+01 -0.151849D+00
      2  -0.190012D+01  0.309804D+00  0.112653D+01 -0.103389D+01  0.272817D+00
      3  -0.378736D+01 -0.125851D+01 -0.103389D+01  0.237681D+01 -0.154147D+00
               131           132           133           134           135 
      1   0.272817D+00 -0.154147D+00 -0.177578D+01  0.200439D+00  0.351618D+00
      2   0.150351D+01 -0.130303D+01  0.200439D+00 -0.202783D+01  0.284405D+01
      3  -0.130303D+01  0.188154D+01  0.351618D+00  0.284405D+01 -0.711048D+01
               136           137           138           139           140 
      1  -0.215342D+00  0.522536D+00  0.480594D+00  0.122726D+01 -0.522535D+00
      2   0.522536D+00  0.607326D+00 -0.853784D-01 -0.522535D+00  0.428184D+01
      3   0.480594D+00 -0.853784D-01  0.625600D+00 -0.133173D+00  0.169693D+01
               141           142           143           144           145 
      1  -0.133173D+00  0.148526D+01 -0.839487D+00  0.182203D+00 -0.130249D+02
      2   0.169693D+01 -0.839487D+00  0.293108D+01  0.174735D+01  0.250895D+01
      3   0.175441D+01  0.182203D+00  0.174735D+01  0.212124D+01 -0.229553D+01
               146           147           148           149           150 
      1   0.250895D+01 -0.229553D+01  0.824935D+00 -0.111299D+01  0.271638D-03
      2  -0.152997D+01  0.578269D+00 -0.111299D+01  0.178435D+00  0.372134D-01
      3   0.578269D+00 -0.144842D+01  0.271638D-03  0.372134D-01  0.870562D-01
               151           152           153           154           155 
      1  -0.149086D+01  0.170800D+00 -0.136615D+01 -0.175347D+02 -0.354778D+01
      2   0.170800D+00  0.620039D-01  0.556294D+00 -0.354778D+01 -0.235114D+01
      3  -0.136615D+01  0.556294D+00 -0.975073D+00  0.110899D+01  0.691420D+00
               156           157           158           159           160 
      1   0.110899D+01 -0.427719D+01 -0.449180D+01  0.220266D+00  0.176742D+01
      2   0.691420D+00 -0.449180D+01 -0.283011D+01  0.481156D+00  0.557031D+00
      3  -0.244310D+01  0.220266D+00  0.481156D+00 -0.423508D+00 -0.287944D+01
               161           162           163           164           165 
      1   0.557031D+00 -0.287944D+01 -0.109909D+02 -0.143619D+01  0.438231D+01
      2  -0.269596D+00 -0.897616D+00 -0.143619D+01  0.308458D+00  0.405666D-01
      3  -0.897616D+00  0.267944D+00  0.438231D+01  0.405666D-01 -0.791195D+00
               166           167           168           169           170 
      1  -0.310498D+01  0.168961D+00  0.647110D+00  0.122828D+01 -0.357720D+00
      2   0.168961D+00  0.292104D+00  0.128275D+01 -0.357720D+00  0.462527D+00
      3   0.647110D+00  0.128275D+01 -0.112281D+00 -0.326629D+00 -0.375782D+00
               171           172           173           174           175 
      1  -0.326629D+00  0.100774D+02  0.925509D+00 -0.240395D+01  0.255955D+01
      2  -0.375782D+00  0.925509D+00  0.135574D+00 -0.183621D+00 -0.326226D-01
      3   0.650485D+01 -0.240395D+01 -0.183621D+00  0.253612D+01 -0.687176D+00
               176           177           178           179           180 
      1  -0.326226D-01 -0.687176D+00 -0.571039D+01 -0.411116D+00  0.235563D+01
      2   0.909322D-01  0.540530D+00 -0.411116D+00  0.100830D+01  0.341748D+00
      3   0.540530D+00  0.780940D+00  0.235563D+01  0.341748D+00  0.144630D+00
               181           182           183           184           185 
      1   0.118612D+02  0.943679D+00  0.632505D+00  0.638744D+01  0.988388D+00
      2   0.943679D+00  0.103713D+02  0.683102D+00  0.988388D+00 -0.488698D+01
      3   0.632505D+00  0.683102D+00  0.267202D+01 -0.196036D+00 -0.137090D+01
               186           187           188           189           190 
      1  -0.196036D+00  0.131391D+01 -0.977354D+00  0.460001D+01  0.371961D+02
      2  -0.137090D+01 -0.977354D+00 -0.814858D+00  0.282915D+01  0.263815D+01
      3   0.118281D+01  0.460001D+01  0.282915D+01  0.269039D+01  0.294821D+01
               191           192           193           194           195 
      1   0.263815D+01  0.294821D+01  0.168656D+02  0.476269D+00  0.432522D+00
      2   0.587630D+01  0.494751D+00  0.476269D+00  0.128945D+02  0.152605D+01
      3   0.494751D+00  0.447966D+01  0.432522D+00  0.152605D+01  0.703135D+00
               196           197           198           199           200 
      1   0.583623D+01 -0.897908D+00  0.689086D+01 -0.375537D+02 -0.459918D+01
      2  -0.897908D+00  0.269213D+01  0.115760D+01 -0.459918D+01 -0.752660D+01
      3   0.689086D+01  0.115760D+01  0.221360D+01 -0.420356D+01 -0.987306D+00
               201           202           203           204           205 
      1  -0.420356D+01 -0.196197D+02 -0.631948D+00 -0.175761D+01 -0.819169D+01
      2  -0.987306D+00 -0.631948D+00 -0.553032D+01  0.227032D+00 -0.290114D+00
      3  -0.533926D+00 -0.175761D+01  0.227032D+00 -0.297797D+01 -0.599439D+00
               206           207           208           209           210 
      1  -0.290114D+00 -0.599439D+00 -0.832678D+01  0.896317D+00 -0.686193D+00
      2  -0.634098D+00 -0.350837D+01  0.896317D+00 -0.219211D+01 -0.269438D+00
      3  -0.350837D+01 -0.164767D+01 -0.686193D+00 -0.269438D+00 -0.944278D+00
               211           212           213           214           215 
      1   0.149839D+01  0.147641D+01  0.620378D+00 -0.595502D+00  0.292691D+00
      2   0.147641D+01  0.198527D+01  0.677023D+00  0.292691D+00 -0.328854D-01
      3   0.620378D+00  0.677023D+00 -0.975291D+00  0.256123D+00  0.408444D+00
               216           217           218           219           220 
      1   0.256123D+00 -0.372598D+01 -0.177796D+01 -0.832324D+00 -0.337601D+01
      2   0.408444D+00 -0.177796D+01  0.276660D+01 -0.480029D+00  0.186557D-01
      3  -0.150455D-01 -0.832324D+00 -0.480029D+00  0.142770D+01 -0.107656D+01
               221           222           223           224           225 
      1   0.186557D-01 -0.107656D+01 -0.918880D+00 -0.620959D+00 -0.123007D+01
      2  -0.260721D+00 -0.179203D+01 -0.620959D+00 -0.115971D+01  0.362794D+01
      3  -0.179203D+01  0.536868D+01 -0.123007D+01  0.362794D+01  0.256057D+01
               226           227           228           229           230 
      1  -0.116026D+01  0.156774D+01  0.128379D+00  0.513757D+00 -0.150910D+01
      2   0.156774D+01 -0.284256D+01 -0.287173D+00 -0.150910D+01  0.951817D+01
      3   0.128379D+00 -0.287173D+00 -0.271175D+00 -0.312139D+00  0.120171D+01
               231           232           233           234           235 
      1  -0.312139D+00 -0.657110D-01 -0.168671D+00  0.159333D+00  0.585058D+01
      2   0.120171D+01 -0.168671D+00  0.128446D+01  0.434102D+00  0.399294D+01
      3   0.976516D+00  0.159333D+00  0.434102D+00  0.275383D+00  0.136460D+01
               236           237           238           239           240 
      1   0.399294D+01  0.136460D+01  0.436351D+01  0.491016D+01  0.131608D+01
      2   0.374901D+01  0.995018D+00  0.491016D+01  0.649729D+01  0.152726D+01
      3   0.995018D+00  0.875581D+00  0.131608D+01  0.152726D+01  0.114741D+01
               241           242           243           244           245 
      1   0.166032D+01  0.144355D+01  0.894508D-01  0.219744D+01 -0.242104D+01
      2   0.144355D+01  0.158866D+01  0.627881D+00 -0.242104D+01  0.144477D+01
      3   0.894508D-01  0.627881D+00  0.331202D+00 -0.216050D+00 -0.330445D-01
               246           247           248           249           250 
      1  -0.216050D+00 -0.367524D+01  0.326161D+01  0.244430D+00 -0.424172D+00
      2  -0.330445D-01  0.326161D+01 -0.601482D+01 -0.644178D+00  0.273684D+00
      3   0.128192D+00  0.244430D+00 -0.644178D+00 -0.647873D+00  0.115419D+00
               251           252           253           254           255 
      1   0.273684D+00  0.115419D+00  0.158963D+02 -0.433782D+00  0.145829D+01
      2  -0.957842D+00 -0.544956D-01 -0.433782D+00  0.957991D+00 -0.293087D-01
      3  -0.544956D-01 -0.905844D-01  0.145829D+01 -0.293087D-01  0.124637D+01
               256           257           258           259           260 
      1   0.194672D+01  0.115096D+01  0.205935D+00  0.185895D+01 -0.256500D-01
      2   0.115096D+01  0.376530D+00  0.291708D+00 -0.256500D-01  0.324384D+00
      3   0.205935D+00  0.291708D+00  0.129399D-01  0.169701D+01 -0.349541D+00
               261           262           263           264           265 
      1   0.169701D+01  0.268326D+00  0.139115D+00 -0.911995D+00 -0.545623D+00
      2  -0.349541D+00  0.139115D+00 -0.143833D+00  0.244512D+00  0.129916D+01
      3   0.355604D+00 -0.911995D+00  0.244512D+00 -0.506183D+00  0.102789D+01
               266           267           268           269           270 
      1   0.129916D+01  0.102789D+01 -0.380441D+01  0.178116D+01  0.253835D+01
      2  -0.174743D+01 -0.143388D+01  0.178116D+01 -0.174206D+01 -0.220172D+01
      3  -0.143388D+01 -0.208721D+01  0.253835D+01 -0.220172D+01 -0.597479D+01
               271           272           273           274           275 
      1  -0.892832D+00  0.304835D+00  0.625139D+00 -0.117151D+01  0.161717D+01
      2   0.304835D+00 -0.806277D+00  0.578269D+00  0.161717D+01 -0.390053D+01
      3   0.625139D+00  0.578269D+00 -0.120873D+01 -0.700671D+00  0.258702D+01
               276           277           278           279 
      1  -0.700671D+00  0.255346D+01 -0.120299D+01  0.131802D+01
      2   0.258702D+01 -0.120299D+01  0.249500D+01 -0.269264D+01
      3  -0.275440D+01  0.131802D+01 -0.269264D+01  0.364403D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.341462D+01 -0.306348D+01  0.919690D+00 -0.747896D+01 -0.628337D+01
      2  -0.766076D+01 -0.334909D+01 -0.171479D+01  0.112756D+02  0.753007D+00
      3  -0.267113D+02  0.196983D+02  0.464900D+00  0.374222D+02  0.167370D+02
                 6             7             8             9            10 
      1  -0.174923D+01  0.323112D+01  0.610053D+01  0.126696D+01 -0.107402D+01
      2  -0.828238D+00 -0.170681D+02 -0.263485D+01 -0.269188D+01  0.195700D+02
      3   0.568087D+01  0.241463D+01  0.652750D+01 -0.382291D+00 -0.926758D+00
                11            12            13            14            15 
      1  -0.567214D+01 -0.582850D+00 -0.423835D+01 -0.190014D+01  0.857787D+00
      2  -0.933844D+00 -0.466948D+01 -0.178406D+02 -0.556997D+01 -0.240246D+01
      3   0.258936D+02  0.286227D+01  0.417195D+02  0.236048D+02  0.841266D+01
                16            17            18            19            20 
      1   0.348494D+01  0.709567D+01  0.218367D+01 -0.458471D+01  0.375648D+00
      2  -0.209271D+02 -0.334115D+01 -0.335252D+01  0.141103D+02  0.577282D+01
      3   0.391977D+01  0.831675D+01  0.232481D+01  0.278167D+02 -0.161790D+02
                21            22            23            24            25 
      1  -0.918038D+00 -0.757920D+00 -0.332458D+01 -0.294604D+01  0.604676D+01
      2   0.141140D+01  0.121673D+02  0.201138D+01 -0.837733D+00 -0.148397D+02
      3   0.316224D+00  0.979913D+01  0.179927D+01  0.451372D+00 -0.588540D+00
                26            27            28            29            30 
      1   0.271780D+01 -0.219470D+01  0.129579D+00 -0.108927D+01 -0.328000D+00
      2  -0.584312D+01 -0.265373D+01 -0.236801D+02 -0.401439D+01  0.769343D+00
      3  -0.356378D+01  0.159616D+01 -0.485706D+01  0.471932D+01  0.816803D+00
                31            32            33            34            35 
      1  -0.581556D+01  0.293260D+01  0.333305D+01 -0.183576D+01  0.130641D+02
      2  -0.597906D+01  0.192460D+01  0.236211D+00 -0.144699D+02 -0.106163D-01
      3   0.204918D+02 -0.356615D+01 -0.357062D+01  0.159491D+01 -0.149360D+00
                36            37            38            39            40 
      1   0.334366D+01 -0.953464D+00  0.509511D+01 -0.466551D+01  0.382134D+01
      2  -0.865965D+00 -0.258920D+01  0.349788D+00  0.203246D+01 -0.323610D+01
      3  -0.167808D+01  0.190674D+02 -0.448032D+01 -0.119151D+01  0.254953D+01
                41            42            43            44            45 
      1  -0.346448D+01 -0.229352D+01 -0.140105D+02  0.442859D+01 -0.109219D+01
      2  -0.404756D+01  0.106588D+01 -0.105292D+02  0.619209D+01 -0.477656D+00
      3   0.702397D+01  0.312741D+01 -0.582368D+00  0.228490D+01  0.488351D+01
                46            47            48            49            50 
      1   0.188158D+01 -0.837922D+00  0.494695D+01  0.619836D+00  0.346940D+01
      2   0.878775D+01  0.306251D+01  0.216897D+01  0.292210D+01  0.251884D+01
      3  -0.314038D+02 -0.232554D+02 -0.488457D+01 -0.683906D+01 -0.189443D+02
                51            52            53            54            55 
      1  -0.334590D+01  0.966136D+01 -0.166238D+01  0.267663D+01  0.236496D+01
      2   0.142775D+01 -0.150395D+02  0.346523D+00  0.157876D+00  0.424281D+01
      3  -0.345645D+01 -0.673535D+01 -0.547300D+01 -0.650457D+01 -0.249261D+02
                56            57            58            59            60 
      1   0.310969D+01  0.750626D+01 -0.115015D+01  0.332936D+01 -0.307774D+01
      2   0.432109D+00 -0.545071D+01  0.317296D+01  0.176871D+01  0.395390D+01
      3  -0.100587D+02 -0.284296D+01 -0.386601D+00 -0.178925D+02 -0.538019D+00
                61            62            63            64            65 
      1   0.934612D+01 -0.926037D+00  0.164419D+01 -0.349126D+00 -0.656439D+00
      2  -0.202867D+02  0.450418D+01 -0.727320D-01  0.395864D+00  0.201652D+00
      3  -0.435776D+01 -0.185378D+01 -0.124520D+02 -0.204948D+01  0.160305D+01
                66            67            68            69            70 
      1   0.927208D+00  0.323254D+00 -0.145723D+01 -0.348843D+01  0.455466D+00
      2   0.129261D+00  0.577913D+00 -0.100389D+01 -0.153573D+01 -0.242325D+01
      3   0.124509D-01  0.577043D+01  0.387198D+01  0.744357D+00  0.106991D+00
                71            72            73            74            75 
      1   0.161201D+01  0.110954D+00  0.208847D+00  0.121469D+01 -0.203857D+01
      2   0.793573D+00 -0.419707D-01 -0.356579D+01 -0.130168D+01  0.113264D+01
      3   0.966676D+00 -0.633991D+00  0.774088D+01  0.136595D+00  0.804821D+00
                76            77            78            79            80 
      1   0.133450D+01  0.256160D+01 -0.276134D+01  0.303659D+01  0.208919D+01
      2  -0.148009D+01 -0.128163D+01  0.198242D+01 -0.338283D+01 -0.399450D+00
      3   0.178424D+01 -0.223177D+01 -0.897117D-01  0.162297D+01 -0.326955D+00
                81            82            83            84            85 
      1   0.142354D+00  0.137272D+01 -0.166707D+01  0.143478D+01 -0.610512D+00
      2   0.641379D+00  0.157055D+01 -0.125114D+01  0.771143D+00 -0.108443D+01
      3  -0.819759D+00 -0.608275D+01  0.287319D+01  0.165792D+00  0.551574D+01
                86            87            88            89            90 
      1   0.385091D+01 -0.380552D+01 -0.124677D+01  0.253210D+01 -0.380050D+00
      2   0.183596D+01 -0.957787D+00 -0.656654D+00 -0.627167D+00 -0.414385D+00
      3  -0.333087D+01 -0.968673D+00 -0.297335D+00 -0.766746D+00  0.728142D+00
                91            92            93            94            95 
      1  -0.960457D+00 -0.171706D+01  0.477868D+00  0.870832D+00  0.239082D+00
      2   0.194722D+02  0.393184D+01 -0.100981D+02  0.295493D+01 -0.765771D+01
      3   0.516192D+01  0.875725D+00 -0.120628D+01  0.189389D+02 -0.690313D+01
                96            97            98            99           100 
      1  -0.313131D+01 -0.176071D+00  0.411761D+01 -0.394205D+01 -0.185473D+01
      2  -0.439576D+01 -0.365843D+02 -0.867144D+01  0.499239D+01  0.250648D+01
      3   0.125828D+02 -0.303125D+01  0.107656D+02  0.836071D+01  0.147735D+02
               101           102           103           104           105 
      1   0.307569D+01  0.262681D+01  0.904007D+00  0.343399D+01  0.649986D+01
      2  -0.498158D+01  0.167046D+02 -0.170236D+01  0.814475D+01  0.942121D+01
      3  -0.166612D+02  0.848566D+01 -0.981827D+01 -0.285443D+00 -0.127679D+02
               106           107           108           109           110 
      1  -0.615453D+00  0.105755D+02  0.708033D-01  0.399735D+01  0.151340D+01
      2   0.766514D+01  0.132250D+02 -0.131577D+02 -0.196713D+02 -0.419459D+01
      3   0.674452D+01 -0.867612D+01 -0.173361D+02 -0.258401D+01  0.128921D+02
               111           112           113           114           115 
      1   0.535946D+01  0.117034D+02  0.557771D+01 -0.159372D+02  0.334034D+01
      2   0.417203D+01 -0.140871D+01 -0.819087D+00 -0.307471D+01  0.174132D+02
      3   0.131813D+01  0.115813D+02  0.991251D+01 -0.250218D+01  0.399404D+01
               116           117           118           119           120 
      1  -0.405346D+01 -0.231070D+01  0.745342D+00  0.125829D+01  0.280738D+00
      2  -0.305740D+00 -0.264651D+01  0.308797D+01  0.310281D+00  0.552883D+01
      3  -0.260646D+01 -0.190714D+01 -0.716927D+01 -0.554656D+01 -0.155541D+01
               121           122           123           124           125 
      1   0.343909D+00  0.241331D+01  0.358844D+00  0.396994D-01  0.277053D+01
      2  -0.103912D+01  0.542818D+01  0.659827D+01  0.517320D+01  0.577166D+01
      3  -0.254672D+01 -0.942987D+01 -0.744741D+01 -0.126230D+01 -0.830170D+01
               126           127           128           129           130 
      1   0.803619D+00  0.964164D+00 -0.146497D+01 -0.228978D+01 -0.214220D+00
      2   0.102562D+02  0.746759D+01  0.348871D+01 -0.932731D+01  0.795088D+00
      3  -0.737210D+01  0.401112D+01  0.516186D+01 -0.618573D+01  0.351506D+01
               131           132           133           134           135 
      1  -0.393750D+00 -0.250875D+01 -0.153142D+01  0.116948D+01  0.641304D+01
      2   0.503183D+01 -0.708099D+01 -0.617918D+01 -0.979058D+01  0.254352D+02
      3   0.611460D+01 -0.580229D+01 -0.316831D+01 -0.730302D+01  0.132234D+02
               136           137           138           139           140 
      1  -0.189548D+01 -0.842425D+00 -0.160267D+01  0.590160D-01 -0.775206D+01
      2  -0.278013D+01  0.866685D+00 -0.169273D+01  0.987549D+00 -0.678118D+01
      3   0.440088D+01  0.384756D+01  0.133469D+01  0.282547D+01  0.177355D+02
               141           142           143           144           145 
      1  -0.727122D+01 -0.426555D-01 -0.510468D+01 -0.761226D+01  0.627565D+00
      2  -0.651509D+01 -0.151242D+01 -0.687443D+01 -0.766326D+01 -0.680261D+01
      3   0.776804D+01  0.119367D+01  0.118365D+02  0.914409D+01 -0.924562D+01
               146           147           148           149           150 
      1   0.162793D+01  0.182198D+01  0.122522D+01 -0.280876D+00 -0.117062D+01
      2   0.236590D+00  0.562389D+01  0.520511D+00 -0.178168D+01 -0.396543D+00
      3  -0.613709D+01 -0.701261D+00 -0.219802D+01 -0.407278D+00  0.119881D+01
               151           152           153           154           155 
      1   0.141254D+01 -0.323942D+00  0.369839D+00 -0.314306D+01 -0.117316D+01
      2   0.276407D+01 -0.176413D+01  0.240943D+01  0.921664D+01  0.452555D+00
      3  -0.147969D+01  0.844189D+00  0.617196D+00 -0.529611D+01 -0.231056D+02
               156           157           158           159           160 
      1  -0.548157D+01 -0.823790D+01 -0.334827D+01  0.197775D+00 -0.304814D+01
      2   0.202478D+02 -0.195972D+01  0.114028D+01  0.541064D+01  0.859076D+01
      3   0.888536D+00 -0.158115D+02 -0.144887D+02  0.173173D+01  0.357728D+00
               161           162           163           164           165 
      1   0.273620D+01  0.325752D+00 -0.461729D+01 -0.219962D+01  0.495425D+00
      2   0.399417D+01 -0.117934D+01  0.701343D+01  0.338717D+01  0.674245D+00
      3   0.225895D+01 -0.231738D+01 -0.489363D+01 -0.345726D+01 -0.165291D+00
               166           167           168           169           170 
      1  -0.482416D+01 -0.600981D+00  0.473084D+01  0.215890D+01  0.740502D+01
      2   0.363236D+01 -0.544365D+01  0.114099D+01 -0.967289D+01  0.883069D+00
      3   0.176149D+01 -0.121403D+00  0.590205D+01 -0.115781D+01  0.214647D+01
               171           172           173           174           175 
      1   0.324898D+01  0.603335D+01  0.210754D+01 -0.127090D+01  0.563866D+01
      2  -0.213171D+02 -0.187694D+02 -0.231623D+01 -0.456892D+01 -0.442130D+01
      3  -0.784579D+00  0.298961D+01  0.173699D+01 -0.105505D+01  0.504763D+01
               176           177           178           179           180 
      1   0.879321D+00 -0.276333D+01 -0.144541D+01 -0.103832D+01  0.706946D+00
      2  -0.216185D+01 -0.146520D+01 -0.674992D+00  0.232479D+00 -0.130643D+01
      3   0.228933D+00  0.421066D+00 -0.153948D+01 -0.773907D+00  0.704245D+00
               181           182           183           184           185 
      1  -0.198273D+00 -0.710215D+00 -0.716915D+01  0.326084D+01 -0.212368D+01
      2  -0.149637D+01  0.105295D+01  0.786623D+01  0.236760D+01 -0.743461D+01
      3   0.219092D+02 -0.149983D+02  0.151151D+00 -0.374714D+01  0.241415D+02
               186           187           188           189           190 
      1  -0.194957D+01 -0.148828D+02  0.475802D+01 -0.322131D+01 -0.186577D+01
      2   0.256378D+01 -0.334321D+00  0.948335D+01  0.483506D+01  0.100770D+02
      3   0.444325D+01  0.686525D-01  0.536377D+01  0.210321D+01  0.101949D+02
               191           192           193           194           195 
      1  -0.572684D+01 -0.125377D+01 -0.644115D+01 -0.451978D+01  0.409634D+01
      2  -0.331011D+01  0.403821D+01 -0.210206D+01  0.477929D+01  0.142986D+01
      3   0.172830D+02  0.484350D+01  0.431476D+02 -0.224222D+02  0.171393D+01
               196           197           198           199           200 
      1   0.116702D+01  0.118493D+02  0.309695D+01 -0.717177D-01  0.387829D+01
      2   0.309397D+01  0.301628D+01  0.362085D+01 -0.136771D+02  0.115724D+01
      3   0.907653D+01  0.165431D+00 -0.621343D+00  0.591730D+01 -0.154394D+02
               201           202           203           204           205 
      1   0.926828D-02  0.113139D+01  0.190018D+01 -0.383975D+01  0.289517D+01
      2   0.194563D+01 -0.106356D+01  0.280170D+01 -0.647913D+01 -0.211576D+02
      3  -0.198138D+01 -0.809602D+01  0.106351D+01 -0.364071D+01 -0.370864D+01
               206           207           208           209           210 
      1   0.395868D+01  0.687953D+00  0.182514D+01  0.517906D+01  0.149606D+01
      2  -0.121389D+02 -0.576718D+01  0.151992D-01  0.444761D+01  0.100578D+02
      3  -0.476290D+01  0.546311D+01 -0.159690D+02 -0.347038D+02 -0.603883D+01
               211           212           213           214           215 
      1   0.662560D+00  0.161088D+01 -0.663155D+01 -0.283089D+01  0.348696D+00
      2   0.199837D+01  0.258472D+01 -0.782291D+01 -0.521793D+01  0.453201D+01
      3   0.241372D+01 -0.747395D+01 -0.285892D+01 -0.245337D+01 -0.485549D+01
               216           217           218           219           220 
      1  -0.144177D+01 -0.235226D+01 -0.112096D+01  0.152393D+01  0.733888D+00
      2   0.250775D+00 -0.690261D+01 -0.309108D+01  0.756295D+01 -0.450141D+01
      3  -0.239187D+01  0.312076D+02 -0.104810D+02  0.699855D+01 -0.196382D+01
               221           222           223           224           225 
      1  -0.915060D+00  0.782665D+01 -0.982120D+01  0.874504D+01  0.488729D+01
      2  -0.726870D+01  0.326401D+02 -0.709829D+01  0.209460D+02  0.160365D+02
      3  -0.177132D+02  0.888951D+01  0.557349D+01  0.627717D+01 -0.268077D+02
               226           227           228           229           230 
      1   0.528757D+00 -0.474745D+00  0.170480D+01  0.372796D+00  0.110402D+00
      2   0.113675D+01 -0.946977D+00  0.273004D+00 -0.107658D+01  0.312718D+01
      3  -0.862914D+01  0.760958D+01  0.479236D+00  0.685185D+01 -0.200660D+02
               231           232           233           234           235 
      1  -0.452069D+01 -0.991180D+00  0.181739D+01 -0.552870D+00 -0.142972D+01
      2   0.601628D+00 -0.844293D-01  0.491319D+00  0.196287D+00  0.190489D+01
      3  -0.308912D+01 -0.736774D-01 -0.256749D+01 -0.253575D-01  0.671266D+00
               236           237           238           239           240 
      1  -0.169463D+00 -0.260767D+01 -0.798921D+00  0.176473D-01 -0.350982D+01
      2   0.173934D+01  0.352173D+01  0.262058D+01  0.314132D+01  0.458913D+01
      3  -0.592219D+01 -0.528948D+00 -0.625346D+01 -0.133250D+02 -0.252168D+01
               241           242           243           244           245 
      1   0.258178D+01  0.117300D+01 -0.310276D+00  0.420737D+00 -0.473251D+00
      2  -0.248156D+01  0.169664D+01  0.123009D+01  0.531090D+00 -0.638561D+00
      3  -0.933700D+00 -0.252864D+01 -0.186228D+01  0.146446D+01 -0.222695D+01
               246           247           248           249           250 
      1   0.844971D+00 -0.696004D+00  0.355758D+00 -0.306178D+01  0.466732D+00
      2   0.553215D+00 -0.586895D+00 -0.144678D+01 -0.230416D+01 -0.166978D+01
      3  -0.981987D-02 -0.594181D+00  0.149839D+02  0.209575D+01 -0.139148D+00
               251           252           253           254           255 
      1   0.150034D+01 -0.822367D-01  0.146414D+01  0.605222D+00  0.126893D+01
      2   0.975215D+00 -0.163929D+00  0.530646D+01  0.103788D+00  0.941181D+01
      3   0.289939D+01 -0.229365D+00 -0.129566D+02 -0.869786D+01 -0.160129D+01
               256           257           258           259           260 
      1   0.288984D+00  0.470649D+00 -0.696439D+00  0.188288D+01  0.786242D-01
      2   0.815702D+00  0.142298D+01  0.986282D-01  0.774629D+01 -0.182079D+01
      3  -0.643749D+01 -0.331211D+01 -0.192643D+01 -0.184859D+01 -0.246967D+01
               261           262           263           264           265 
      1   0.106974D+00 -0.755897D+00  0.144110D+00 -0.112169D+01  0.653485D+00
      2   0.174614D+01 -0.679411D+01  0.127603D+01 -0.250357D+01  0.512063D+01
      3   0.129953D+01  0.701792D+00  0.242143D+01  0.445733D+00 -0.438918D+01
               266           267           268           269           270 
      1  -0.178877D+01 -0.391741D+01  0.369777D+01 -0.951569D+00 -0.970389D+01
      2  -0.810064D+01 -0.122620D+02  0.912801D+01 -0.127754D+02 -0.338228D+02
      3   0.127516D+02  0.911671D+01 -0.617222D+01  0.118805D+02  0.160058D+02
               271           272           273           274           275 
      1   0.127118D+00 -0.125634D+00 -0.231498D+01 -0.312213D+00  0.798207D+00
      2   0.560447D+01  0.226165D+01 -0.575976D+01 -0.244719D+01  0.123842D+02
      3   0.168014D+01  0.695537D+01 -0.463476D+01 -0.428897D+01  0.259304D+02
               276           277           278           279 
      1  -0.433570D+01  0.156497D+01 -0.940031D+00  0.495236D+01
      2  -0.148019D+02  0.295110D+01 -0.140715D+02  0.181585D+02
      3  -0.154718D+02  0.286164D+01 -0.155549D+02  0.176719D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.734018D+02 -0.331689D+02 -0.105647D+02  0.812808D+02 -0.329776D+00
      2   0.392208D+02  0.214065D+02  0.861236D+01 -0.365700D+02  0.116569D+02
      3   0.341810D+02  0.117624D+02  0.195236D+01 -0.447108D+02 -0.113272D+02
      4  -0.904840D+01  0.166976D+02  0.349411D+01  0.113438D+02  0.234545D+02
      5  -0.853040D+01  0.121246D+01 -0.380138D+01  0.437883D-02  0.207788D+01
      6  -0.117024D+01  0.477104D+01 -0.101122D+01 -0.211782D+01 -0.593086D-01
                 6             7             8             9            10 
      1   0.103554D+02  0.571420D+01 -0.213308D+01 -0.868554D+01  0.899468D+02
      2  -0.173436D+01 -0.229370D+00  0.374464D+01  0.129726D+00 -0.364652D+02
      3  -0.862105D+01 -0.548483D+01 -0.161156D+01  0.855581D+01 -0.534816D+02
      4   0.565744D+01  0.111892D+01  0.466233D+01  0.274525D+01 -0.288214D+02
      5  -0.355963D+01 -0.160861D+00  0.175835D+01 -0.328576D+01  0.330616D+01
      6  -0.540336D+00 -0.286721D+01  0.507784D+01 -0.237207D+01 -0.542268D+00
                11            12            13            14            15 
      1  -0.191778D+02  0.724201D+01 -0.823128D+02 -0.297837D+02 -0.123668D+02
      2   0.148159D+02 -0.204469D+00  0.317786D+02  0.188095D+02  0.859401D+01
      3   0.436189D+01 -0.703754D+01  0.505342D+02  0.109743D+02  0.377283D+01
      4   0.139581D+02  0.247910D+01 -0.306903D+02 -0.182721D+02 -0.470409D+01
      5   0.375825D+01 -0.112985D+02 -0.362459D+01 -0.936437D+00  0.120672D+01
      6   0.170235D+01 -0.347249D+00 -0.121226D+01  0.530131D+01 -0.166677D+01
                16            17            18            19            20 
      1  -0.344113D+01 -0.613394D+01 -0.715620D+01  0.400193D+02  0.408556D+02
      2   0.340275D+01  0.363712D+01 -0.134344D+01 -0.218337D+02 -0.276554D+02
      3   0.383826D-01  0.249681D+01  0.849964D+01 -0.181857D+02 -0.132002D+02
      4  -0.879300D+01 -0.152602D+01 -0.455181D+01  0.148901D+02 -0.207203D+02
      5   0.151049D+01 -0.236065D+01 -0.482830D+01  0.618276D+01  0.145005D+01
      6  -0.265998D+01  0.497833D+01 -0.151812D+01  0.205088D+01 -0.931851D+01
                21            22            23            24            25 
      1   0.141797D+02 -0.124825D+02  0.204268D+02  0.919659D+01  0.227811D+01
      2  -0.823799D+01  0.194011D+02 -0.226793D+02 -0.517727D+01  0.444271D+01
      3  -0.594173D+01 -0.691863D+01  0.225251D+01 -0.401932D+01 -0.672082D+01
      4  -0.116454D+01  0.106965D+02 -0.832155D+00  0.183633D+01  0.756091D+01
      5   0.797997D+00  0.359997D+01  0.231310D+01 -0.457661D+01  0.896636D+01
      6  -0.691326D+00  0.592103D+01 -0.965109D+01  0.495557D+01  0.670219D+00
                26            27            28            29            30 
      1   0.166793D+02 -0.410459D+01  0.188860D+02  0.544778D+01 -0.701470D+01
      2  -0.105711D+02 -0.517306D+01 -0.247522D+02 -0.168300D+01  0.211447D+01
      3  -0.610821D+01  0.927764D+01  0.586617D+01 -0.376479D+01  0.490023D+01
      4   0.406200D+00 -0.440453D+01  0.114099D+02  0.124759D+02  0.175375D+01
      5  -0.716883D+01 -0.459910D+01 -0.470194D+01  0.221809D+01  0.702004D+01
      6   0.779442D+01 -0.345462D+01 -0.430070D+01  0.343853D+01  0.141767D+01
                31            32            33            34            35 
      1  -0.221396D+02 -0.566624D+02 -0.124207D+02 -0.128000D+02 -0.121241D+02
      2   0.150302D+02  0.462300D+02  0.136169D+02 -0.586457D+00  0.897546D+01
      3   0.710932D+01  0.104324D+02 -0.119615D+01  0.133865D+02  0.314862D+01
      4  -0.348707D+02  0.171761D+02  0.450464D+01 -0.105230D+02  0.615337D+01
      5  -0.125896D+02  0.826157D+00 -0.616057D+00  0.207232D+02  0.476440D+01
      6  -0.337765D+01  0.153525D+02 -0.321613D+00 -0.129212D+01  0.720872D+01
                36            37            38            39            40 
      1  -0.742349D+01 -0.103261D+02 -0.624522D+02 -0.141385D+02  0.274347D+02
      2  -0.574447D+01  0.403215D+01  0.440144D+02  0.385960D+01 -0.248083D+02
      3   0.131680D+02  0.629391D+01  0.184379D+02  0.102789D+02 -0.262633D+01
      4   0.218458D+01 -0.265253D+02  0.191112D+01 -0.486638D+01  0.212600D+02
      5   0.250454D+01 -0.165925D+01 -0.772620D+01  0.154648D+01  0.127449D+01
      6  -0.169779D+01 -0.725796D+01  0.789539D+01  0.107998D+02 -0.571702D+01
                41            42            43            44            45 
      1   0.327507D+02  0.765709D+01 -0.148624D+01 -0.494660D+01 -0.170491D+02
      2  -0.285867D+02 -0.873754D+01 -0.117090D+02 -0.414190D+01 -0.219291D+01
      3  -0.416394D+01  0.108046D+01  0.131953D+02  0.908849D+01  0.192420D+02
      4  -0.218829D+02 -0.636170D+01 -0.931175D+01 -0.776496D+01  0.434852D+01
      5  -0.452923D+01  0.525619D+01  0.129691D+02  0.434291D+01  0.605264D+01
      6  -0.129482D+02 -0.383937D+00  0.146357D+02  0.994506D+01  0.760251D+01
                46            47            48            49            50 
      1   0.166574D+02  0.529001D+02  0.167538D+02 -0.134502D+02  0.106154D+02
      2  -0.110810D+02 -0.337957D+02 -0.439203D+01  0.124530D+02 -0.154075D+02
      3  -0.557647D+01 -0.191044D+02 -0.123617D+02  0.997125D+00  0.479211D+01
      4   0.287261D+02 -0.139917D+02  0.318141D+00  0.177956D+02  0.102571D+02
      5  -0.422929D+01 -0.256448D+00  0.160851D+01 -0.337327D+00  0.202790D+01
      6   0.242611D+01 -0.113598D+02 -0.113204D+02  0.459988D+01 -0.867653D+01
                51            52            53            54            55 
      1   0.406689D+01  0.203036D+01  0.108486D+02 -0.191269D+02 -0.232139D+02
      2  -0.717010D+01  0.256620D+01 -0.180324D+02  0.582506D+01  0.459009D+01
      3   0.310321D+01 -0.459656D+01  0.718378D+01  0.133018D+02  0.186238D+02
      4   0.359819D+01  0.647770D+01 -0.160573D+01 -0.279945D+01 -0.880857D+01
      5   0.344988D+00  0.456922D+01 -0.116945D+01 -0.448875D+01  0.451178D+01
      6   0.642073D+01 -0.472051D+01  0.164887D+02  0.481246D+01  0.226316D+01
                56            57            58            59            60 
      1   0.384549D+02  0.810432D+01 -0.664274D+01  0.174119D+02  0.637152D+01
      2  -0.315668D+02 -0.269757D+01  0.680225D+01 -0.205634D+02 -0.745202D+01
      3  -0.688805D+01 -0.540675D+01 -0.159513D+00  0.315149D+01  0.108050D+01
      4  -0.535523D+02 -0.768599D+01  0.143491D+02  0.655787D+01 -0.110679D+01
      5  -0.365785D+01 -0.100553D+02  0.420056D+01 -0.106258D+01  0.554086D+01
      6  -0.576276D+01 -0.130131D+02  0.341903D+01 -0.879847D+01  0.770486D+01
                61            62            63            64            65 
      1  -0.162113D+01  0.119557D+02 -0.249513D+02  0.201198D+01  0.392699D+00
      2   0.203573D+01 -0.163967D+02  0.104565D+02  0.205290D+01 -0.250176D+01
      3  -0.414608D+00  0.444098D+01  0.144948D+02 -0.406487D+01  0.210906D+01
      4   0.119176D+01 -0.119335D+02  0.698334D+01 -0.932746D+01  0.993660D+01
      5  -0.115240D+01  0.112915D+02 -0.146290D+01  0.208396D+01 -0.906095D+00
      6  -0.496177D+01  0.195007D+02  0.336546D+00 -0.153152D+01  0.141036D+01
                66            67            68            69            70 
      1   0.679467D+00  0.390612D+01 -0.189330D+02 -0.864590D+00  0.285302D+01
      2  -0.244902D+00 -0.835572D+01  0.260154D+02  0.722153D+00 -0.214485D+01
      3  -0.434565D+00  0.444960D+01 -0.708239D+01  0.142438D+00 -0.708164D+00
      4  -0.372368D-01  0.138310D+02 -0.192570D+02 -0.687827D+00  0.661398D+00
      5   0.108257D+01 -0.595405D+00 -0.536922D+00 -0.246719D+01  0.601309D+00
      6  -0.971367D+00  0.161386D+01 -0.235564D+01  0.467301D+01 -0.210147D+01
                71            72            73            74            75 
      1  -0.303035D+01 -0.292783D+01  0.147484D+01 -0.508297D+01 -0.211668D+01
      2   0.305212D+01  0.302400D+01  0.495543D+01  0.103455D+02  0.158317D+01
      3  -0.217626D-01 -0.961731D-01 -0.643027D+01 -0.526254D+01  0.533508D+00
      4  -0.209848D+01 -0.133995D+01  0.217101D+02  0.204757D+02  0.550011D+01
      5  -0.400728D+00 -0.251559D+00  0.831170D+01  0.585440D+01  0.519795D+01
      6   0.222306D+01  0.101853D+01  0.743383D+01  0.749806D+01  0.479687D+01
                76            77            78            79            80 
      1  -0.946758D+01 -0.199717D+02 -0.637811D+01 -0.914506D+00 -0.435465D+01
      2   0.157141D+02  0.289792D+02  0.551358D+01  0.392090D+01  0.525803D+01
      3  -0.624655D+01 -0.900748D+01  0.864525D+00 -0.300640D+01 -0.903376D+00
      4   0.229437D+02  0.287087D+02  0.691170D+01  0.707127D+01  0.694311D+01
      5   0.634801D+01  0.727622D+01  0.495697D+01  0.229694D+01  0.362467D+01
      6   0.993536D+01  0.143084D+02  0.869600D+01  0.152230D+01  0.566065D+01
                81            82            83            84            85 
      1  -0.189653D+01 -0.479545D+01  0.959784D+01  0.112419D+01  0.856033D+01
      2   0.247001D+01  0.799539D+01 -0.141259D+02 -0.112301D+01 -0.108667D+02
      3  -0.573479D+00 -0.319994D+01  0.452807D+01 -0.118503D-02  0.230633D+01
      4   0.443006D+01 -0.772641D+01  0.146256D+02  0.211108D+01  0.963794D+01
      5   0.237477D+01 -0.255172D+01  0.370890D+01  0.262928D+01  0.257202D+01
      6   0.342956D+01  0.263102D+01 -0.353785D+01 -0.271784D+01 -0.365260D+01
                86            87            88            89            90 
      1  -0.435487D+02 -0.747950D+01  0.101685D+01 -0.639823D+01 -0.241324D+01
      2   0.573732D+02  0.690171D+01 -0.160354D+01  0.738063D+01  0.264747D+01
      3  -0.138245D+02  0.577788D+00  0.586686D+00 -0.982398D+00 -0.234226D+00
      4  -0.200343D+02 -0.300024D+01  0.156172D+01 -0.105248D+01 -0.243350D+01
      5  -0.627546D+01 -0.257356D+01  0.146538D+01 -0.257399D+01 -0.741646D+00
      6   0.155134D+02  0.918251D+01 -0.246667D+00  0.539268D+01  0.233006D+01
                91            92            93            94            95 
      1  -0.279941D+02 -0.171552D+02  0.120995D+02 -0.100542D+02 -0.459009D+01
      2   0.228492D+02  0.148547D+02 -0.634649D+01  0.112471D+02  0.370176D+01
      3   0.514496D+01  0.230047D+01 -0.575305D+01 -0.119289D+01  0.888335D+00
      4  -0.192449D+02 -0.163853D+02  0.311636D+01 -0.268503D+02  0.133675D+02
      5   0.148060D+02  0.254755D+01 -0.237385D+02 -0.562149D+00 -0.264445D+02
      6   0.757054D+00 -0.515327D+01 -0.152127D+00 -0.753327D+01  0.249776D+01
                96            97            98            99           100 
      1  -0.231913D+01  0.273074D+02  0.561889D+01 -0.179804D+02 -0.671971D+02
      2   0.608508D+01 -0.188940D+02  0.871705D+00  0.129172D+02  0.394976D+02
      3  -0.376595D+01 -0.841336D+01 -0.649060D+01  0.506323D+01  0.276995D+02
      4  -0.266811D+02  0.700744D+01 -0.203387D+02 -0.153690D+02  0.202182D+02
      5  -0.750012D+01 -0.385698D+02 -0.157367D+02 -0.120315D+01 -0.301141D+02
      6  -0.927810D+01 -0.689830D+01 -0.343348D+01 -0.693364D+01  0.446384D+01
               101           102           103           104           105 
      1   0.203855D+02 -0.281758D+02 -0.124979D+01  0.110781D+02 -0.306499D+01
      2  -0.147874D+02  0.846835D+01 -0.345401D+01 -0.782745D+01 -0.149868D+02
      3  -0.559808D+01  0.197074D+02  0.470380D+01 -0.325068D+01  0.180517D+02
      4   0.171352D+02 -0.383004D+01  0.219022D+02 -0.149891D+02  0.269598D+02
      5  -0.501750D+01  0.200484D+02 -0.791782D+01  0.274296D+02  0.118683D+02
      6   0.624912D+01 -0.123710D+02  0.919645D+01 -0.118351D+02 -0.452216D+01
               106           107           108           109           110 
      1  -0.199738D+02 -0.681321D+01  0.366596D+02 -0.805506D+02 -0.162442D+02
      2   0.901898D+01 -0.117912D+02 -0.170651D+02  0.288787D+02 -0.630587D+00
      3   0.109548D+02  0.186044D+02 -0.195945D+02  0.516719D+02  0.168748D+02
      4  -0.578262D+01  0.178559D+02  0.154160D+02 -0.303067D+02 -0.233081D+02
      5   0.133577D+02  0.196353D+02 -0.119450D+02  0.119649D+02  0.605580D+01
      6  -0.723586D+01 -0.934670D+01  0.146503D+02  0.145422D+01  0.290740D+01
               111           112           113           114           115 
      1   0.564154D+01 -0.175013D+02 -0.988085D+01  0.331102D+01 -0.367531D+02
      2  -0.424344D+00  0.300394D+01  0.561832D+01 -0.418842D+00  0.269984D+02
      3  -0.521720D+01  0.144973D+02  0.426253D+01 -0.289218D+01  0.975473D+01
      4   0.385613D+01  0.523676D+01 -0.117960D+02  0.214121D+01 -0.415938D+01
      5  -0.526173D+01  0.409431D+01  0.323773D+01 -0.134134D+00  0.293721D+02
      6  -0.226530D+01  0.410368D+01  0.982812D+00  0.301152D+01  0.904604D+01
               116           117           118           119           120 
      1  -0.314582D+01  0.229374D+02  0.110504D+02  0.823077D+01  0.541878D+01
      2   0.414701D+01 -0.686082D+01 -0.884910D+01 -0.591323D+01 -0.511734D+01
      3  -0.100119D+01 -0.160765D+02 -0.220128D+01 -0.231754D+01 -0.301439D+00
      4  -0.545060D+00  0.610094D+01  0.144809D+02  0.120142D+02  0.458428D+01
      5   0.614796D+01 -0.503880D+01  0.139916D+02  0.555331D+01  0.160912D+02
      6  -0.973688D+00  0.113952D+01  0.556341D+01  0.286824D+01  0.303509D+01
               121           122           123           124           125 
      1   0.166017D+02  0.737431D+00 -0.776640D+00  0.743692D+01 -0.142170D+01
      2  -0.107854D+02 -0.480439D+00 -0.236389D+01 -0.816153D+01 -0.342738D+01
      3  -0.581629D+01 -0.256992D+00  0.314053D+01  0.724604D+00  0.484908D+01
      4   0.161463D+02  0.196661D+02  0.160324D+02  0.635271D+01  0.159663D+02
      5   0.111678D+02  0.163521D+02  0.153506D+02  0.227262D+02  0.144093D+02
      6   0.489041D+01  0.988227D+01  0.100899D+02  0.532566D+01  0.861043D+01
               126           127           128           129           130 
      1  -0.301491D+00 -0.594871D+01 -0.100286D+02  0.202738D+02 -0.236699D+01
      2  -0.103973D+02  0.191926D-01  0.605964D+01 -0.472524D+01  0.118799D+01
      3   0.106988D+02  0.592952D+01  0.396894D+01 -0.155486D+02  0.117900D+01
      4   0.145209D+02  0.112306D+00 -0.582815D+01  0.192297D+01  0.761736D+00
      5   0.290299D+02  0.511359D+01  0.414839D+01 -0.905781D+01 -0.678977D+00
      6   0.998260D+01 -0.419577D+01 -0.615141D+01  0.100219D+02 -0.137858D+01
               131           132           133           134           135 
      1  -0.125364D+02  0.114601D+02  0.131025D+02  0.140382D+02 -0.372081D+02
      2   0.765775D+01 -0.426095D+01 -0.515894D+01 -0.373716D+01 -0.829901D+00
      3   0.487866D+01 -0.719916D+01 -0.794354D+01 -0.103010D+02  0.380380D+02
      4  -0.771263D+01  0.636269D+01 -0.636968D+01  0.119801D+02 -0.146847D+02
      5   0.624703D+01 -0.108210D+02  0.482957D+01 -0.176700D+02  0.410211D+02
      6  -0.923483D+01  0.139354D+02  0.681909D+00  0.164659D+02 -0.284515D+02
               136           137           138           139           140 
      1   0.268456D+01 -0.798418D+01 -0.138803D+01 -0.678063D+01 -0.138709D+02
      2   0.120038D+01  0.637449D+01  0.235373D+01  0.155803D+01  0.276730D+02
      3  -0.388494D+01  0.160970D+01 -0.965700D+00  0.522260D+01 -0.138021D+02
      4  -0.458360D+01 -0.154870D+01  0.167599D+01  0.860490D+01 -0.298206D+02
      5  -0.203925D+01 -0.919043D-01 -0.356083D+01  0.221682D+00 -0.134331D+02
      6   0.174287D+01 -0.693410D+00  0.274629D+01 -0.558674D+00  0.418222D+01
               141           142           143           144           145 
      1  -0.416314D+01 -0.603791D+01 -0.436156D+01 -0.937750D+01  0.105819D+03
      2   0.119805D+02  0.185358D+01  0.146442D+02  0.107220D+02 -0.562317D+02
      3  -0.781735D+01  0.418433D+01 -0.102826D+02 -0.134453D+01 -0.495871D+02
      4  -0.121998D+02  0.931042D+01 -0.221274D+02 -0.113032D+02 -0.445154D+02
      5  -0.127508D+02 -0.558671D+00 -0.125626D+02 -0.161392D+02  0.401053D+02
      6   0.779854D+01  0.667664D+00  0.666003D+01  0.746892D+01 -0.879310D+01
               146           147           148           149           150 
      1  -0.157178D+02  0.158970D+02 -0.394430D+01  0.843327D+01 -0.215266D+00
      2   0.490749D+01 -0.111287D+02 -0.138933D+01 -0.261655D+01  0.654047D+00
      3   0.108103D+02 -0.476829D+01  0.533363D+01 -0.581672D+01 -0.438781D+00
      4   0.204995D+02 -0.859817D+01  0.140568D+02 -0.489254D+01  0.210408D+00
      5  -0.797739D+01  0.193368D+02 -0.702415D+00  0.172155D+01 -0.996704D+00
      6   0.465742D+01 -0.489196D+01  0.307511D+01 -0.229024D+00  0.218944D+01
               151           152           153           154           155 
      1   0.111974D+02 -0.904572D+00  0.702167D+01  0.187989D+03  0.323944D+02
      2  -0.897940D+01  0.221760D+01 -0.619420D+01 -0.855715D+02 -0.906864D+01
      3  -0.221802D+01 -0.131303D+01 -0.827472D+00 -0.102417D+03 -0.233258D+02
      4  -0.437020D+01  0.356497D+00 -0.597632D+01  0.514340D+02  0.447118D+02
      5   0.181256D+02 -0.501940D+01  0.103775D+02 -0.336001D+02 -0.865489D+01
      6  -0.378752D+01  0.301583D+01 -0.334067D+01 -0.149078D+01 -0.438250D+01
               156           157           158           159           160 
      1  -0.822614D+01  0.294030D+02  0.343213D+02  0.434888D-01 -0.896765D+01
      2   0.883464D+01 -0.549928D+01 -0.798905D+01  0.398898D+00  0.939374D+01
      3  -0.608499D+00 -0.239037D+02 -0.263323D+02 -0.442387D+00 -0.426082D+00
      4  -0.599810D+01  0.534539D+02  0.367960D+02 -0.482080D+01 -0.558900D+01
      5   0.354267D+02 -0.547458D+01 -0.845889D+01  0.751297D+01  0.388510D+02
      6   0.317406D+01 -0.848776D+01 -0.494707D+01  0.595573D+01  0.482880D+01
               161           162           163           164           165 
      1  -0.135908D+01  0.230800D+02  0.481259D+02  0.945713D+01 -0.185918D+02
      2   0.143942D+01 -0.149844D+02 -0.325525D+02 -0.404569D+01  0.110144D+02
      3  -0.803436D-01 -0.809566D+01 -0.155735D+02 -0.541144D+01  0.757744D+01
      4  -0.254267D+01  0.951195D+01  0.142342D+02  0.753645D+01 -0.126525D+01
      5   0.946510D+01 -0.970492D+01 -0.326122D+02 -0.162736D+01  0.184135D+02
      6   0.536402D+01 -0.238390D+01 -0.559879D+01 -0.120566D+01  0.781488D+00
               166           167           168           169           170 
      1   0.146088D+02 -0.940493D+01  0.923691D+00  0.212451D+01  0.311471D+01
      2  -0.829879D+01  0.271423D+01 -0.118101D+01  0.180556D+01 -0.186203D+01
      3  -0.630997D+01  0.669070D+01  0.257318D+00 -0.393007D+01 -0.125268D+01
      4   0.455664D+01 -0.181677D+01 -0.941597D+01  0.154130D+01 -0.415393D+01
      5  -0.584740D+01 -0.885506D+01  0.612886D+00  0.121264D+02  0.927069D+00
      6  -0.226112D+01 -0.184773D+01  0.114347D+02 -0.126616D+01  0.967967D+01
               171           172           173           174           175 
      1  -0.312023D+02 -0.481873D+02 -0.473094D+01 -0.152892D+01 -0.125404D+02
      2  -0.114821D+02  0.293246D+02  0.278326D+01 -0.672473D+01  0.863053D+01
      3   0.426843D+02  0.188627D+02  0.194768D+01  0.825365D+01  0.390987D+01
      4  -0.106618D+01 -0.105607D+02 -0.461044D+01  0.118483D+01 -0.156341D+01
      5  -0.375249D+02  0.248645D+02  0.182404D+01 -0.153208D+02  0.571394D+01
      6  -0.241855D+01  0.475799D+01  0.311634D+01 -0.131771D+01  0.158612D+01
               176           177           178           179           180 
      1  -0.429835D+01 -0.505654D-01  0.137436D+02  0.193467D+01 -0.885444D+01
      2   0.279785D+01 -0.212603D+01 -0.130529D+02 -0.164923D+01  0.538250D+01
      3   0.150049D+01  0.217660D+01 -0.690700D+00 -0.285435D+00  0.347194D+01
      4  -0.637257D+00 -0.185826D+01  0.515177D+01  0.806751D+00 -0.193008D+01
      5  -0.151302D+01 -0.445903D+01 -0.132241D+02 -0.118706D+01  0.506964D+01
      6   0.110258D+01  0.209765D+01 -0.193960D+01  0.437257D+00  0.135414D+01
               181           182           183           184           185 
      1   0.321854D+02 -0.544611D+02 -0.800624D+01  0.399103D+02  0.233967D+02
      2  -0.162136D+02  0.429792D+02  0.217934D+01 -0.292630D+02 -0.237106D+02
      3  -0.159718D+02  0.114819D+02  0.582690D+01 -0.106473D+02  0.313956D+00
      4  -0.989329D+01  0.376644D+02 -0.224670D+01  0.105416D+02 -0.320842D+02
      5  -0.936059D+01 -0.435704D+01  0.128533D+02 -0.223523D+01 -0.115751D+02
      6  -0.753669D+01 -0.634062D+00  0.122002D+02 -0.739236D+01 -0.992614D+01
               186           187           188           189           190 
      1   0.562609D+01  0.483242D+01 -0.650397D+01  0.512965D+00  0.136082D+03
      2  -0.674552D+01 -0.129408D+02 -0.191702D+01 -0.846577D+01 -0.734221D+02
      3   0.111943D+01  0.810841D+01  0.842099D+01  0.795281D+01 -0.626603D+02
      4  -0.108447D+02 -0.112501D+02 -0.107161D+02  0.190975D+02  0.205889D+01
      5   0.798777D+01  0.301434D+02  0.163538D+02  0.117139D+02  0.588479D+00
      6   0.201644D+01  0.203432D+02  0.133626D+02  0.625678D+01 -0.322566D+01
               191           192           193           194           195 
      1   0.126102D+02  0.117734D+02  0.567161D+02 -0.429789D+02 -0.628002D+01
      2   0.128817D+01 -0.343262D+01 -0.229495D+02  0.440654D+02  0.122496D+02
      3  -0.138983D+02 -0.834079D+01 -0.337665D+02 -0.108653D+01 -0.596960D+01
      4   0.168425D+02  0.869901D+00 -0.434007D+02  0.581156D+02  0.461909D+01
      5   0.209829D+01  0.109672D+02 -0.125178D+02  0.758189D+01  0.300735D+01
      6   0.128082D+00  0.276474D+01 -0.334980D+01  0.908353D+01 -0.640490D+01
               196           197           198           199           200 
      1   0.150695D+02 -0.113872D+02  0.209969D+02 -0.111951D+03  0.205094D+02
      2  -0.827288D+01  0.103502D+02 -0.187000D+02  0.471761D+02 -0.206076D+02
      3  -0.679666D+01  0.103698D+01 -0.229692D+01  0.647746D+02  0.982077D-01
      4  -0.166365D+02  0.979079D+01  0.338955D+01  0.284468D+02 -0.304621D+02
      5   0.456670D+02  0.911664D+01  0.781864D+01 -0.507314D+01 -0.261479D+01
      6   0.128040D+01  0.664506D+01 -0.345280D+01  0.237888D+01 -0.475221D+01
               201           202           203           204           205 
      1  -0.606211D+01 -0.909322D+02  0.100590D+02 -0.272453D+01 -0.292748D+02
      2   0.124941D+01  0.562857D+02 -0.185594D+02 -0.128216D+01  0.172208D+02
      3   0.481270D+01  0.346465D+02  0.850046D+01  0.400669D+01  0.120539D+02
      4  -0.103811D+01  0.210837D+02 -0.188875D+02  0.384316D+01  0.889791D+01
      5   0.521070D+01 -0.146860D+01  0.241221D+01 -0.138150D+02  0.419198D+01
      6  -0.142725D+00  0.616971D+01 -0.741362D+01  0.840663D+01 -0.824219D+00
               206           207           208           209           210 
      1   0.103034D+02 -0.139594D+02  0.118102D+02  0.554485D+01 -0.867937D+00
      2  -0.993913D+01 -0.416426D+01 -0.831014D+01 -0.440630D+01 -0.165642D+01
      3  -0.364297D+00  0.181236D+02 -0.350010D+01 -0.113855D+01  0.252436D+01
      4  -0.931270D+00 -0.162366D+02  0.172940D+02  0.991006D+01  0.863052D-01
      5  -0.205457D+02 -0.113249D+02  0.661730D+01 -0.995573D+00  0.178338D+02
      6   0.816199D+01 -0.977470D+00  0.108277D+01  0.220063D+01 -0.295849D+01
               211           212           213           214           215 
      1   0.164392D+02  0.218905D+01  0.476840D+01  0.225191D+01 -0.600247D+00
      2  -0.827026D+01 -0.203123D+00 -0.536830D+01 -0.342933D+01 -0.156461D+01
      3  -0.816893D+01 -0.198593D+01  0.599900D+00  0.117742D+01  0.216486D+01
      4   0.255748D+02  0.194343D+02  0.636592D+01  0.382990D+01  0.246353D+01
      5   0.643236D+01  0.492442D+01 -0.143862D+02  0.123599D+02  0.451351D+01
      6   0.467650D+00 -0.141755D+01  0.113848D+02  0.125301D+01  0.385427D+01
               216           217           218           219           220 
      1   0.426455D+01 -0.983145D+02 -0.730986D+01 -0.176553D+02 -0.225671D+02
      2  -0.317273D+01  0.556308D+02  0.962002D+00  0.106580D+02  0.874229D+01
      3  -0.109182D+01  0.426837D+02  0.634786D+01  0.699736D+01  0.138248D+02
      4   0.589734D+01 -0.110179D+02  0.229375D+02 -0.387884D+01  0.152314D+01
      5   0.367089D+01 -0.172956D+02 -0.434654D+01  0.947985D+01 -0.101642D+02
      6   0.314225D+01  0.962590D+00  0.303058D+01 -0.411661D+01  0.983775D+00
               221           222           223           224           225 
      1   0.215993D+02 -0.169162D+02 -0.183735D+02 -0.103527D+02  0.151772D+02
      2  -0.126261D+02  0.126266D+02  0.768784D+01  0.868507D+01 -0.113131D+02
      3  -0.897319D+01  0.428960D+01  0.106857D+02  0.166763D+01 -0.386418D+01
      4   0.547143D+01 -0.147319D+02 -0.647363D+01 -0.898192D+01  0.371182D+02
      5  -0.148860D+02  0.620808D+02 -0.122520D+02  0.381693D+02  0.314523D+02
      6   0.733785D+01 -0.223471D+02  0.800339D+01 -0.152683D+02 -0.619723D+01
               226           227           228           229           230 
      1  -0.810125D+01  0.170832D+02  0.159364D+01  0.854047D+01 -0.514952D+02
      2   0.931357D+01 -0.189470D+02 -0.151886D+01 -0.936827D+01  0.652925D+02
      3  -0.121232D+01  0.186383D+01 -0.747829D-01  0.827796D+00 -0.137973D+02
      4  -0.206553D+01  0.498337D+01  0.752292D+00  0.260166D+01  0.126441D+02
      5  -0.816627D+00  0.133862D+01  0.119098D+01  0.316044D+00 -0.697127D+00
      6   0.825979D+00 -0.132532D+01 -0.258990D+01 -0.156113D+01  0.793461D+01
               231           232           233           234           235 
      1  -0.737148D+01  0.314832D+00 -0.681865D+01 -0.185434D+01  0.259917D+02
      2   0.720539D+01 -0.939833D+00  0.802802D+01  0.265737D+01 -0.362938D+01
      3   0.166093D+00  0.625001D+00 -0.120937D+01 -0.803033D+00 -0.223623D+02
      4   0.148864D+01 -0.115368D+00  0.276734D+01 -0.756626D+00  0.433259D+02
      5   0.127945D+01  0.207151D+01 -0.370390D+00  0.389494D+00  0.105491D+02
      6   0.810366D+01  0.423486D+00  0.426383D+01  0.192072D+01  0.645290D+01
               236           237           238           239           240 
      1   0.134132D+02  0.437155D+01  0.104181D+02  0.258672D+01  0.647925D+00
      2   0.365340D+01 -0.101538D+01  0.999497D+01  0.209634D+02  0.290526D+01
      3  -0.170666D+02 -0.335617D+01 -0.204131D+02 -0.235501D+02 -0.355319D+01
      4   0.380030D+02  0.987881D+01  0.448097D+02  0.547717D+02  0.123611D+02
      5   0.757180D+01  0.790310D+01  0.933890D+01  0.949569D+01  0.826297D+01
      6   0.554416D+01  0.488930D+01  0.785065D+01  0.978928D+01  0.768606D+01
               241           242           243           244           245 
      1   0.539508D+01  0.183537D+01 -0.252384D+00  0.124512D+02 -0.112403D+02
      2   0.139961D+01  0.324907D+01  0.186536D+01 -0.369448D+01  0.331258D+01
      3  -0.679469D+01 -0.508445D+01 -0.161297D+01 -0.875668D+01  0.792773D+01
      4   0.135819D+02  0.134823D+02  0.652027D+01 -0.187057D+02  0.150995D+02
      5   0.218536D+01  0.471696D+01  0.352974D+01 -0.214458D+01  0.119505D+01
      6   0.100847D+01  0.452971D+01  0.294560D+01  0.541646D+00  0.496508D-01
               246           247           248           249           250 
      1  -0.687410D+00 -0.128693D+02 -0.250734D+01 -0.104199D+01 -0.629830D+00
      2   0.257112D+00  0.342179D-01  0.153266D+02  0.793036D+00 -0.143536D-01
      3   0.430298D+00  0.128351D+02 -0.128192D+02  0.248954D+00  0.644184D+00
      4   0.551760D+00  0.263214D+02 -0.389860D+02 -0.392202D+01  0.253432D+01
      5   0.168994D+01  0.342410D+01 -0.640990D+01 -0.479533D+01  0.138711D+01
      6  -0.760760D+00 -0.132303D+01  0.307176D+01  0.446444D+01 -0.236747D+01
               251           252           253           254           255 
      1  -0.173071D+01 -0.149382D+01  0.205363D+03 -0.312688D+01  0.179794D+02
      2   0.229242D+01  0.212365D+01 -0.107678D+03 -0.448462D+00 -0.105097D+02
      3  -0.561711D+00 -0.629831D+00 -0.976847D+02  0.357534D+01 -0.746978D+01
      4  -0.546307D+01 -0.109590D+01 -0.206234D+02  0.158006D+02 -0.178393D+01
      5  -0.392337D+00 -0.601741D+00  0.201776D+02 -0.332412D+00  0.189358D+02
      6   0.181369D+01  0.120205D+01 -0.325269D+01  0.671009D+00 -0.228309D+01
               256           257           258           259           260 
      1   0.218603D+02  0.152842D+02  0.319242D+01  0.220473D+02  0.110701D+01
      2  -0.138894D+02 -0.766862D+01 -0.239697D+01 -0.130591D+02 -0.128906D+01
      3  -0.797085D+01 -0.761556D+01 -0.795448D+00 -0.898819D+01  0.182056D+00
      4   0.170566D+02  0.357148D+01  0.340065D+01 -0.199975D+01  0.384146D+01
      5   0.222702D+01  0.366846D+01  0.548749D+00  0.244169D+02 -0.349935D+01
      6   0.460129D+00 -0.544913D+00  0.169409D+01 -0.268395D+01  0.255169D+01
               261           262           263           264           265 
      1   0.167926D+02  0.868375D+01 -0.315798D+01 -0.102462D+02 -0.440295D+01
      2  -0.995917D+01 -0.492019D+01  0.225987D+01  0.428640D+01  0.449343D+00
      3  -0.683339D+01 -0.376356D+01  0.898111D+00  0.595979D+01  0.395361D+01
      4  -0.459147D+01 -0.121883D+01 -0.965234D+00  0.417977D+01  0.164587D+02
      5   0.508554D+01 -0.984564D+01  0.297531D+01 -0.219679D+01  0.121283D+02
      6  -0.480805D+00  0.293654D+01 -0.686638D+00  0.211845D+01 -0.421029D+01
               266           267           268           269           270 
      1   0.106351D+01  0.274356D+01 -0.302266D+02  0.777445D+01  0.592403D+00
      2   0.324034D+01  0.116637D+01  0.170331D+02 -0.218762D+01 -0.646059D+01
      3  -0.430386D+01 -0.390993D+01  0.131936D+02 -0.558682D+01  0.586819D+01
      4  -0.201038D+02 -0.159735D+02  0.230371D+02 -0.205652D+02 -0.238759D+02
      5  -0.163174D+02 -0.240307D+02  0.310391D+02 -0.244971D+02 -0.654629D+02
      6   0.643034D+01  0.108685D+02 -0.906184D+01  0.107213D+02  0.177907D+02
               271           272           273           274           275 
      1  -0.326152D+01 -0.560322D+01  0.124745D+02 -0.929294D+01 -0.802210D+01
      2   0.147308D+01  0.484881D+01 -0.613936D+01  0.208989D+01  0.145250D+02
      3   0.178844D+01  0.754403D+00 -0.633518D+01  0.720305D+01 -0.650287D+01
      4   0.262852D+01 -0.655492D+01  0.248849D+01  0.203193D+02 -0.400111D+02
      5   0.665176D+01  0.346260D+01 -0.934259D+01 -0.834771D+01  0.243388D+02
      6  -0.182953D+01 -0.317492D+01  0.517641D+01  0.511268D+01 -0.144745D+02
               276           277           278           279 
      1   0.846220D+01  0.216162D+02  0.370271D+01 -0.109031D+02
      2  -0.879682D+01 -0.977160D+01 -0.507347D+01  0.319568D+01
      3   0.334613D+00 -0.118446D+02  0.137076D+01  0.770742D+01
      4   0.252674D+02 -0.155144D+02  0.248704D+02 -0.258493D+02
      5  -0.283355D+02  0.154568D+02 -0.261061D+02  0.337651D+02
      6   0.143247D+02 -0.679912D+01  0.139061D+02 -0.152931D+02
 Leave Link  716 at Tue Aug 17 21:11:28 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.295492D+03  0.797649D+01  0.152522D+02
      2   0.797649D+01  0.175291D+03  0.841090D+01
      3   0.152522D+02  0.841090D+01  0.121630D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.140214D+01 -0.301929D+02 -0.105021D+01
      2   0.640397D+02  0.193949D+02 -0.124314D+02
      3   0.408061D+02 -0.583101D+02 -0.167704D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.269822D+03 -0.547438D+02  0.677908D+02
      2  -0.115683D+03  0.559293D+02 -0.160086D+02
      3  -0.154139D+03 -0.118547D+01 -0.517822D+02
      4  -0.479818D+02  0.123220D+03  0.489846D+02
      5  -0.351295D+01  0.519763D+02 -0.331802D+02
      6   0.195105D+02 -0.539692D+02 -0.193406D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340706D+02 -0.314452D+01 -0.317976D+01  0.423080D+02  0.930284D+01
      2  -0.314452D+01 -0.789074D+00 -0.904275D+00  0.930284D+01  0.951171D+01
      3  -0.317976D+01 -0.904275D+00 -0.195092D+00  0.608934D+01  0.245122D+01
                 6             7             8             9            10 
      1   0.608934D+01  0.432684D+01  0.129442D+01 -0.250461D+00  0.388812D+02
      2   0.245122D+01  0.129442D+01  0.117694D+01  0.154830D+01  0.377864D+01
      3   0.389003D+00 -0.250461D+00  0.154830D+01  0.474158D+00  0.370804D+01
                11            12            13            14            15 
      1   0.377864D+01  0.370804D+01 -0.424884D+02 -0.878386D+01 -0.612664D+01
      2   0.425532D+01  0.100035D+01 -0.878386D+01 -0.809486D+01 -0.260001D+01
      3   0.100035D+01 -0.437623D-01 -0.612664D+01 -0.260001D+01 -0.456266D+00
                16            17            18            19            20 
      1  -0.294876D+01 -0.110376D+01  0.566076D+00  0.361913D+02  0.524687D+01
      2  -0.110376D+01 -0.464937D+00 -0.136946D+01  0.524687D+01  0.408190D+01
      3   0.566076D+00 -0.136946D+01 -0.467754D+00  0.338841D+01  0.964291D+00
                21            22            23            24            25 
      1   0.338841D+01  0.192418D+02  0.221806D+01  0.730394D+00  0.856647D+01
      2   0.964291D+00  0.221806D+01  0.419703D+01  0.300002D+00  0.269594D+00
      3   0.380048D+00  0.730394D+00  0.300002D+00  0.214537D+01 -0.803713D+00
                26            27            28            29            30 
      1   0.269594D+00 -0.803713D+00 -0.431368D+02 -0.459456D+01 -0.119428D+01
      2  -0.212342D-01  0.321545D+01 -0.459456D+01 -0.278188D+01 -0.304021D+00
      3   0.321545D+01  0.964374D+00 -0.119428D+01 -0.304021D+00 -0.209114D+01
                31            32            33            34            35 
      1  -0.112918D+02 -0.735402D+00  0.214914D+00 -0.577391D+01  0.358869D+00
      2  -0.735402D+00 -0.844806D+01 -0.225375D+01  0.358869D+00 -0.219699D+01
      3   0.214914D+00 -0.225375D+01 -0.554407D+00 -0.547015D+01 -0.120675D+01
                36            37            38            39            40 
      1  -0.547015D+01 -0.842941D+01 -0.138729D+00 -0.355699D+00 -0.572605D+01
      2  -0.120675D+01 -0.138729D+00 -0.881660D+01 -0.142504D+01 -0.173927D+01
      3  -0.160939D+01 -0.355699D+00 -0.142504D+01 -0.269761D+01  0.557361D+00
                41            42            43            44            45 
      1  -0.173927D+01  0.557361D+00 -0.124566D+01  0.107580D+01 -0.416584D+01
      2   0.320267D+01  0.143087D+01  0.107580D+01  0.287153D+00 -0.234655D+01
      3   0.143087D+01 -0.576056D+00 -0.416584D+01 -0.234655D+01 -0.293604D+01
                46            47            48            49            50 
      1   0.128674D+02  0.222283D+01  0.184760D+01 -0.179753D-01 -0.776168D+00
      2   0.222283D+01  0.624714D+01  0.217655D+01 -0.776168D+00 -0.107354D+00
      3   0.184760D+01  0.217655D+01  0.303755D+01 -0.667615D-01  0.100835D+01
                51            52            53            54            55 
      1  -0.667615D-01  0.146950D+01  0.405700D+00  0.166635D+01 -0.138008D+02
      2   0.100835D+01  0.405700D+00  0.222293D+01 -0.328766D+01 -0.385637D+01
      3  -0.132061D+01  0.166635D+01 -0.328766D+01 -0.115150D+01 -0.196562D+01
                56            57            58            59            60 
      1  -0.385637D+01 -0.196562D+01 -0.216024D+01  0.429278D+00 -0.279173D+00
      2  -0.951859D+01 -0.183687D+01  0.429278D+00 -0.707201D+00 -0.948532D+00
      3  -0.183687D+01 -0.289820D+01 -0.279173D+00 -0.948532D+00  0.148617D+01
                61            62            63            64            65 
      1  -0.190714D+01 -0.562245D+00 -0.173836D+01 -0.181588D+01  0.228890D+01
      2  -0.562245D+00 -0.270111D+01  0.325493D+01  0.228890D+01 -0.128838D+01
      3  -0.173836D+01  0.325493D+01  0.598517D+00 -0.137186D-01  0.161967D+00
                66            67            68            69            70 
      1  -0.137186D-01  0.316377D+01 -0.305873D+01 -0.796115D-01 -0.196202D+00
      2   0.161967D+00 -0.305873D+01  0.607769D+01  0.250294D+00 -0.999639D-01
      3  -0.130006D+00 -0.796115D-01  0.250294D+00  0.689428D+00  0.165802D-02
                71            72            73            74            75 
      1  -0.999639D-01  0.165802D-02 -0.516271D+01 -0.304517D+01 -0.117534D+01
      2   0.762357D+00  0.214973D+00 -0.304517D+01 -0.306682D+01 -0.906937D+00
      3   0.214973D+00  0.683308D-01 -0.117534D+01 -0.906937D+00 -0.731361D+00
                76            77            78            79            80 
      1  -0.329428D+01 -0.414037D+01 -0.119263D+01 -0.156992D+01 -0.125978D+01
      2  -0.414037D+01 -0.610463D+01 -0.157035D+01 -0.125978D+01 -0.140101D+01
      3  -0.119263D+01 -0.157035D+01 -0.113257D+01  0.318422D-01 -0.679482D+00
                81            82            83            84            85 
      1   0.318422D-01  0.151010D+01 -0.184695D+01 -0.212778D+00 -0.900525D+00
      2  -0.679482D+00 -0.184695D+01  0.275753D+01  0.339042D+00  0.211291D+01
      3  -0.321783D+00 -0.212778D+00  0.339042D+00  0.298634D+00  0.427519D+00
                86            87            88            89            90 
      1   0.211291D+01  0.427519D+00 -0.310383D-01  0.167309D+00 -0.168788D-01
      2  -0.947375D+01 -0.144603D+01  0.167309D+00 -0.142314D+01 -0.453758D+00
      3  -0.144603D+01 -0.104395D+01 -0.168788D-01 -0.453758D+00 -0.266990D+00
                91            92            93            94            95 
      1   0.189481D+02  0.323812D+01 -0.183790D+01  0.237659D+01  0.296880D+01
      2   0.323812D+01  0.172590D+01 -0.805775D+00  0.296880D+01 -0.129136D+01
      3  -0.183790D+01 -0.805775D+00  0.309886D+01 -0.331167D+00  0.316193D+01
                96            97            98            99           100 
      1  -0.331167D+00 -0.658386D+01 -0.134835D+01  0.568250D+01  0.780489D+01
      2   0.316193D+01 -0.134835D+01  0.185635D+01  0.231748D+01 -0.572652D+00
      3   0.129149D+01  0.568250D+01  0.231748D+01 -0.499021D+00  0.185332D+01
               101           102           103           104           105 
      1  -0.572652D+00  0.185332D+01  0.271700D+01 -0.262352D+01  0.112801D+01
      2  -0.224564D+01  0.128864D+01 -0.262352D+01  0.144668D+01 -0.309737D+01
      3   0.128864D+01 -0.330826D+01  0.112801D+01 -0.309737D+01 -0.201243D+01
               106           107           108           109           110 
      1   0.197304D+01  0.121597D+01 -0.226745D+01  0.224014D+01  0.155074D+01
      2   0.121597D+01 -0.213234D+01 -0.314073D+01  0.155074D+01  0.468548D+00
      3  -0.226745D+01 -0.314073D+01  0.289183D+01  0.230699D+00 -0.268928D+00
               111           112           113           114           115 
      1   0.230699D+00  0.989822D+00 -0.648296D+00  0.277510D+00  0.114565D+02
      2  -0.268928D+00 -0.648296D+00 -0.101700D-01 -0.143864D+00  0.118927D+01
      3  -0.140743D+01  0.277510D+00 -0.143864D+00 -0.802762D+00 -0.490714D+01
               116           117           118           119           120 
      1   0.118927D+01 -0.490714D+01 -0.264010D+01 -0.166079D+01 -0.141389D+01
      2   0.846122D+00 -0.660997D+00 -0.166079D+01 -0.980680D+00 -0.395718D+00
      3  -0.660997D+00  0.746802D+00 -0.141389D+01 -0.395718D+00 -0.153329D+01
               121           122           123           124           125 
      1  -0.518265D+01 -0.186582D+01 -0.104644D+01 -0.226229D+01 -0.530224D+00
      2  -0.186582D+01 -0.264607D+01 -0.207512D+01 -0.530224D+00 -0.202077D+01
      3  -0.104644D+01 -0.207512D+01 -0.201933D+01 -0.248075D+01 -0.190012D+01
               126           127           128           129           130 
      1  -0.248075D+01  0.691453D+00  0.309804D+00 -0.125851D+01 -0.151849D+00
      2  -0.190012D+01  0.309804D+00  0.112653D+01 -0.103389D+01  0.272817D+00
      3  -0.378736D+01 -0.125851D+01 -0.103389D+01  0.237681D+01 -0.154147D+00
               131           132           133           134           135 
      1   0.272817D+00 -0.154147D+00 -0.177578D+01  0.200439D+00  0.351618D+00
      2   0.150351D+01 -0.130303D+01  0.200439D+00 -0.202783D+01  0.284405D+01
      3  -0.130303D+01  0.188154D+01  0.351618D+00  0.284405D+01 -0.711048D+01
               136           137           138           139           140 
      1  -0.215342D+00  0.522536D+00  0.480594D+00  0.122726D+01 -0.522535D+00
      2   0.522536D+00  0.607326D+00 -0.853784D-01 -0.522535D+00  0.428184D+01
      3   0.480594D+00 -0.853784D-01  0.625600D+00 -0.133173D+00  0.169693D+01
               141           142           143           144           145 
      1  -0.133173D+00  0.148526D+01 -0.839487D+00  0.182203D+00 -0.130249D+02
      2   0.169693D+01 -0.839487D+00  0.293108D+01  0.174735D+01  0.250895D+01
      3   0.175441D+01  0.182203D+00  0.174735D+01  0.212124D+01 -0.229553D+01
               146           147           148           149           150 
      1   0.250895D+01 -0.229553D+01  0.824935D+00 -0.111299D+01  0.271638D-03
      2  -0.152997D+01  0.578269D+00 -0.111299D+01  0.178435D+00  0.372134D-01
      3   0.578269D+00 -0.144842D+01  0.271638D-03  0.372134D-01  0.870562D-01
               151           152           153           154           155 
      1  -0.149086D+01  0.170800D+00 -0.136615D+01 -0.175347D+02 -0.354778D+01
      2   0.170800D+00  0.620039D-01  0.556294D+00 -0.354778D+01 -0.235114D+01
      3  -0.136615D+01  0.556294D+00 -0.975073D+00  0.110899D+01  0.691420D+00
               156           157           158           159           160 
      1   0.110899D+01 -0.427719D+01 -0.449180D+01  0.220266D+00  0.176742D+01
      2   0.691420D+00 -0.449180D+01 -0.283011D+01  0.481156D+00  0.557031D+00
      3  -0.244310D+01  0.220266D+00  0.481156D+00 -0.423508D+00 -0.287944D+01
               161           162           163           164           165 
      1   0.557031D+00 -0.287944D+01 -0.109909D+02 -0.143619D+01  0.438231D+01
      2  -0.269596D+00 -0.897616D+00 -0.143619D+01  0.308458D+00  0.405666D-01
      3  -0.897616D+00  0.267944D+00  0.438231D+01  0.405666D-01 -0.791195D+00
               166           167           168           169           170 
      1  -0.310498D+01  0.168961D+00  0.647110D+00  0.122828D+01 -0.357720D+00
      2   0.168961D+00  0.292104D+00  0.128275D+01 -0.357720D+00  0.462527D+00
      3   0.647110D+00  0.128275D+01 -0.112281D+00 -0.326629D+00 -0.375782D+00
               171           172           173           174           175 
      1  -0.326629D+00  0.100774D+02  0.925509D+00 -0.240395D+01  0.255955D+01
      2  -0.375782D+00  0.925509D+00  0.135574D+00 -0.183621D+00 -0.326226D-01
      3   0.650485D+01 -0.240395D+01 -0.183621D+00  0.253612D+01 -0.687176D+00
               176           177           178           179           180 
      1  -0.326226D-01 -0.687176D+00 -0.571039D+01 -0.411116D+00  0.235563D+01
      2   0.909322D-01  0.540530D+00 -0.411116D+00  0.100830D+01  0.341748D+00
      3   0.540530D+00  0.780940D+00  0.235563D+01  0.341748D+00  0.144630D+00
               181           182           183           184           185 
      1   0.118612D+02  0.943679D+00  0.632505D+00  0.638744D+01  0.988388D+00
      2   0.943679D+00  0.103713D+02  0.683102D+00  0.988388D+00 -0.488698D+01
      3   0.632505D+00  0.683102D+00  0.267202D+01 -0.196036D+00 -0.137090D+01
               186           187           188           189           190 
      1  -0.196036D+00  0.131391D+01 -0.977354D+00  0.460001D+01  0.371961D+02
      2  -0.137090D+01 -0.977354D+00 -0.814858D+00  0.282915D+01  0.263815D+01
      3   0.118281D+01  0.460001D+01  0.282915D+01  0.269039D+01  0.294821D+01
               191           192           193           194           195 
      1   0.263815D+01  0.294821D+01  0.168656D+02  0.476269D+00  0.432522D+00
      2   0.587630D+01  0.494751D+00  0.476269D+00  0.128945D+02  0.152605D+01
      3   0.494751D+00  0.447966D+01  0.432522D+00  0.152605D+01  0.703135D+00
               196           197           198           199           200 
      1   0.583623D+01 -0.897908D+00  0.689086D+01 -0.375537D+02 -0.459918D+01
      2  -0.897908D+00  0.269213D+01  0.115760D+01 -0.459918D+01 -0.752660D+01
      3   0.689086D+01  0.115760D+01  0.221360D+01 -0.420356D+01 -0.987306D+00
               201           202           203           204           205 
      1  -0.420356D+01 -0.196197D+02 -0.631948D+00 -0.175761D+01 -0.819169D+01
      2  -0.987306D+00 -0.631948D+00 -0.553032D+01  0.227032D+00 -0.290114D+00
      3  -0.533926D+00 -0.175761D+01  0.227032D+00 -0.297797D+01 -0.599439D+00
               206           207           208           209           210 
      1  -0.290114D+00 -0.599439D+00 -0.832678D+01  0.896317D+00 -0.686193D+00
      2  -0.634098D+00 -0.350837D+01  0.896317D+00 -0.219211D+01 -0.269438D+00
      3  -0.350837D+01 -0.164767D+01 -0.686193D+00 -0.269438D+00 -0.944278D+00
               211           212           213           214           215 
      1   0.149839D+01  0.147641D+01  0.620378D+00 -0.595502D+00  0.292691D+00
      2   0.147641D+01  0.198527D+01  0.677023D+00  0.292691D+00 -0.328854D-01
      3   0.620378D+00  0.677023D+00 -0.975291D+00  0.256123D+00  0.408444D+00
               216           217           218           219           220 
      1   0.256123D+00 -0.372598D+01 -0.177796D+01 -0.832324D+00 -0.337601D+01
      2   0.408444D+00 -0.177796D+01  0.276660D+01 -0.480029D+00  0.186557D-01
      3  -0.150455D-01 -0.832324D+00 -0.480029D+00  0.142770D+01 -0.107656D+01
               221           222           223           224           225 
      1   0.186557D-01 -0.107656D+01 -0.918880D+00 -0.620959D+00 -0.123007D+01
      2  -0.260721D+00 -0.179203D+01 -0.620959D+00 -0.115971D+01  0.362794D+01
      3  -0.179203D+01  0.536868D+01 -0.123007D+01  0.362794D+01  0.256057D+01
               226           227           228           229           230 
      1  -0.116026D+01  0.156774D+01  0.128379D+00  0.513757D+00 -0.150910D+01
      2   0.156774D+01 -0.284256D+01 -0.287173D+00 -0.150910D+01  0.951817D+01
      3   0.128379D+00 -0.287173D+00 -0.271175D+00 -0.312139D+00  0.120171D+01
               231           232           233           234           235 
      1  -0.312139D+00 -0.657110D-01 -0.168671D+00  0.159333D+00  0.585058D+01
      2   0.120171D+01 -0.168671D+00  0.128446D+01  0.434102D+00  0.399294D+01
      3   0.976516D+00  0.159333D+00  0.434102D+00  0.275383D+00  0.136460D+01
               236           237           238           239           240 
      1   0.399294D+01  0.136460D+01  0.436351D+01  0.491016D+01  0.131608D+01
      2   0.374901D+01  0.995018D+00  0.491016D+01  0.649729D+01  0.152726D+01
      3   0.995018D+00  0.875581D+00  0.131608D+01  0.152726D+01  0.114741D+01
               241           242           243           244           245 
      1   0.166032D+01  0.144355D+01  0.894508D-01  0.219744D+01 -0.242104D+01
      2   0.144355D+01  0.158866D+01  0.627881D+00 -0.242104D+01  0.144477D+01
      3   0.894508D-01  0.627881D+00  0.331202D+00 -0.216050D+00 -0.330445D-01
               246           247           248           249           250 
      1  -0.216050D+00 -0.367524D+01  0.326161D+01  0.244430D+00 -0.424172D+00
      2  -0.330445D-01  0.326161D+01 -0.601482D+01 -0.644178D+00  0.273684D+00
      3   0.128192D+00  0.244430D+00 -0.644178D+00 -0.647873D+00  0.115419D+00
               251           252           253           254           255 
      1   0.273684D+00  0.115419D+00  0.158963D+02 -0.433782D+00  0.145829D+01
      2  -0.957842D+00 -0.544956D-01 -0.433782D+00  0.957991D+00 -0.293087D-01
      3  -0.544956D-01 -0.905844D-01  0.145829D+01 -0.293087D-01  0.124637D+01
               256           257           258           259           260 
      1   0.194672D+01  0.115096D+01  0.205935D+00  0.185895D+01 -0.256500D-01
      2   0.115096D+01  0.376530D+00  0.291708D+00 -0.256500D-01  0.324384D+00
      3   0.205935D+00  0.291708D+00  0.129399D-01  0.169701D+01 -0.349541D+00
               261           262           263           264           265 
      1   0.169701D+01  0.268326D+00  0.139115D+00 -0.911995D+00 -0.545623D+00
      2  -0.349541D+00  0.139115D+00 -0.143833D+00  0.244512D+00  0.129916D+01
      3   0.355604D+00 -0.911995D+00  0.244512D+00 -0.506183D+00  0.102789D+01
               266           267           268           269           270 
      1   0.129916D+01  0.102789D+01 -0.380441D+01  0.178116D+01  0.253835D+01
      2  -0.174743D+01 -0.143388D+01  0.178116D+01 -0.174206D+01 -0.220172D+01
      3  -0.143388D+01 -0.208721D+01  0.253835D+01 -0.220172D+01 -0.597479D+01
               271           272           273           274           275 
      1  -0.892832D+00  0.304835D+00  0.625139D+00 -0.117151D+01  0.161717D+01
      2   0.304835D+00 -0.806277D+00  0.578269D+00  0.161717D+01 -0.390053D+01
      3   0.625139D+00  0.578269D+00 -0.120873D+01 -0.700671D+00  0.258702D+01
               276           277           278           279 
      1  -0.700671D+00  0.255346D+01 -0.120299D+01  0.131802D+01
      2   0.258702D+01 -0.120299D+01  0.249500D+01 -0.269264D+01
      3  -0.275440D+01  0.131802D+01 -0.269264D+01  0.364403D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.341462D+01 -0.306348D+01  0.919690D+00 -0.747896D+01 -0.628337D+01
      2  -0.766076D+01 -0.334909D+01 -0.171479D+01  0.112756D+02  0.753007D+00
      3  -0.267113D+02  0.196983D+02  0.464900D+00  0.374222D+02  0.167370D+02
                 6             7             8             9            10 
      1  -0.174923D+01  0.323112D+01  0.610053D+01  0.126696D+01 -0.107402D+01
      2  -0.828238D+00 -0.170681D+02 -0.263485D+01 -0.269188D+01  0.195700D+02
      3   0.568087D+01  0.241463D+01  0.652750D+01 -0.382291D+00 -0.926758D+00
                11            12            13            14            15 
      1  -0.567214D+01 -0.582850D+00 -0.423835D+01 -0.190014D+01  0.857787D+00
      2  -0.933844D+00 -0.466948D+01 -0.178406D+02 -0.556997D+01 -0.240246D+01
      3   0.258936D+02  0.286227D+01  0.417195D+02  0.236048D+02  0.841266D+01
                16            17            18            19            20 
      1   0.348494D+01  0.709567D+01  0.218367D+01 -0.458471D+01  0.375648D+00
      2  -0.209271D+02 -0.334115D+01 -0.335252D+01  0.141103D+02  0.577282D+01
      3   0.391977D+01  0.831675D+01  0.232481D+01  0.278167D+02 -0.161790D+02
                21            22            23            24            25 
      1  -0.918038D+00 -0.757920D+00 -0.332458D+01 -0.294604D+01  0.604676D+01
      2   0.141140D+01  0.121673D+02  0.201138D+01 -0.837733D+00 -0.148397D+02
      3   0.316224D+00  0.979913D+01  0.179927D+01  0.451372D+00 -0.588540D+00
                26            27            28            29            30 
      1   0.271780D+01 -0.219470D+01  0.129579D+00 -0.108927D+01 -0.328000D+00
      2  -0.584312D+01 -0.265373D+01 -0.236801D+02 -0.401439D+01  0.769343D+00
      3  -0.356378D+01  0.159616D+01 -0.485706D+01  0.471932D+01  0.816803D+00
                31            32            33            34            35 
      1  -0.581556D+01  0.293260D+01  0.333305D+01 -0.183576D+01  0.130641D+02
      2  -0.597906D+01  0.192460D+01  0.236211D+00 -0.144699D+02 -0.106163D-01
      3   0.204918D+02 -0.356615D+01 -0.357062D+01  0.159491D+01 -0.149360D+00
                36            37            38            39            40 
      1   0.334366D+01 -0.953464D+00  0.509511D+01 -0.466551D+01  0.382134D+01
      2  -0.865965D+00 -0.258920D+01  0.349788D+00  0.203246D+01 -0.323610D+01
      3  -0.167808D+01  0.190674D+02 -0.448032D+01 -0.119151D+01  0.254953D+01
                41            42            43            44            45 
      1  -0.346448D+01 -0.229352D+01 -0.140105D+02  0.442859D+01 -0.109219D+01
      2  -0.404756D+01  0.106588D+01 -0.105292D+02  0.619209D+01 -0.477656D+00
      3   0.702397D+01  0.312741D+01 -0.582368D+00  0.228490D+01  0.488351D+01
                46            47            48            49            50 
      1   0.188158D+01 -0.837922D+00  0.494695D+01  0.619836D+00  0.346940D+01
      2   0.878775D+01  0.306251D+01  0.216897D+01  0.292210D+01  0.251884D+01
      3  -0.314038D+02 -0.232554D+02 -0.488457D+01 -0.683906D+01 -0.189443D+02
                51            52            53            54            55 
      1  -0.334590D+01  0.966136D+01 -0.166238D+01  0.267663D+01  0.236496D+01
      2   0.142775D+01 -0.150395D+02  0.346523D+00  0.157876D+00  0.424281D+01
      3  -0.345645D+01 -0.673535D+01 -0.547300D+01 -0.650457D+01 -0.249261D+02
                56            57            58            59            60 
      1   0.310969D+01  0.750626D+01 -0.115015D+01  0.332936D+01 -0.307774D+01
      2   0.432109D+00 -0.545071D+01  0.317296D+01  0.176871D+01  0.395390D+01
      3  -0.100587D+02 -0.284296D+01 -0.386601D+00 -0.178925D+02 -0.538019D+00
                61            62            63            64            65 
      1   0.934612D+01 -0.926037D+00  0.164419D+01 -0.349126D+00 -0.656439D+00
      2  -0.202867D+02  0.450418D+01 -0.727320D-01  0.395864D+00  0.201652D+00
      3  -0.435776D+01 -0.185378D+01 -0.124520D+02 -0.204948D+01  0.160305D+01
                66            67            68            69            70 
      1   0.927208D+00  0.323254D+00 -0.145723D+01 -0.348843D+01  0.455466D+00
      2   0.129261D+00  0.577913D+00 -0.100389D+01 -0.153573D+01 -0.242325D+01
      3   0.124509D-01  0.577043D+01  0.387198D+01  0.744357D+00  0.106991D+00
                71            72            73            74            75 
      1   0.161201D+01  0.110954D+00  0.208847D+00  0.121469D+01 -0.203857D+01
      2   0.793573D+00 -0.419707D-01 -0.356579D+01 -0.130168D+01  0.113264D+01
      3   0.966676D+00 -0.633991D+00  0.774088D+01  0.136595D+00  0.804821D+00
                76            77            78            79            80 
      1   0.133450D+01  0.256160D+01 -0.276134D+01  0.303659D+01  0.208919D+01
      2  -0.148009D+01 -0.128163D+01  0.198242D+01 -0.338283D+01 -0.399450D+00
      3   0.178424D+01 -0.223177D+01 -0.897117D-01  0.162297D+01 -0.326955D+00
                81            82            83            84            85 
      1   0.142354D+00  0.137272D+01 -0.166707D+01  0.143478D+01 -0.610512D+00
      2   0.641379D+00  0.157055D+01 -0.125114D+01  0.771143D+00 -0.108443D+01
      3  -0.819759D+00 -0.608275D+01  0.287319D+01  0.165792D+00  0.551574D+01
                86            87            88            89            90 
      1   0.385091D+01 -0.380552D+01 -0.124677D+01  0.253210D+01 -0.380050D+00
      2   0.183596D+01 -0.957787D+00 -0.656654D+00 -0.627167D+00 -0.414385D+00
      3  -0.333087D+01 -0.968673D+00 -0.297335D+00 -0.766746D+00  0.728142D+00
                91            92            93            94            95 
      1  -0.960457D+00 -0.171706D+01  0.477868D+00  0.870832D+00  0.239082D+00
      2   0.194722D+02  0.393184D+01 -0.100981D+02  0.295493D+01 -0.765771D+01
      3   0.516192D+01  0.875725D+00 -0.120628D+01  0.189389D+02 -0.690313D+01
                96            97            98            99           100 
      1  -0.313131D+01 -0.176071D+00  0.411761D+01 -0.394205D+01 -0.185473D+01
      2  -0.439576D+01 -0.365843D+02 -0.867144D+01  0.499239D+01  0.250648D+01
      3   0.125828D+02 -0.303125D+01  0.107656D+02  0.836071D+01  0.147735D+02
               101           102           103           104           105 
      1   0.307569D+01  0.262681D+01  0.904007D+00  0.343399D+01  0.649986D+01
      2  -0.498158D+01  0.167046D+02 -0.170236D+01  0.814475D+01  0.942121D+01
      3  -0.166612D+02  0.848566D+01 -0.981827D+01 -0.285443D+00 -0.127679D+02
               106           107           108           109           110 
      1  -0.615453D+00  0.105755D+02  0.708033D-01  0.399735D+01  0.151340D+01
      2   0.766514D+01  0.132250D+02 -0.131577D+02 -0.196713D+02 -0.419459D+01
      3   0.674452D+01 -0.867612D+01 -0.173361D+02 -0.258401D+01  0.128921D+02
               111           112           113           114           115 
      1   0.535946D+01  0.117034D+02  0.557771D+01 -0.159372D+02  0.334034D+01
      2   0.417203D+01 -0.140871D+01 -0.819087D+00 -0.307471D+01  0.174132D+02
      3   0.131813D+01  0.115813D+02  0.991251D+01 -0.250218D+01  0.399404D+01
               116           117           118           119           120 
      1  -0.405346D+01 -0.231070D+01  0.745342D+00  0.125829D+01  0.280738D+00
      2  -0.305740D+00 -0.264651D+01  0.308797D+01  0.310281D+00  0.552883D+01
      3  -0.260646D+01 -0.190714D+01 -0.716927D+01 -0.554656D+01 -0.155541D+01
               121           122           123           124           125 
      1   0.343909D+00  0.241331D+01  0.358844D+00  0.396994D-01  0.277053D+01
      2  -0.103912D+01  0.542818D+01  0.659827D+01  0.517320D+01  0.577166D+01
      3  -0.254672D+01 -0.942987D+01 -0.744741D+01 -0.126230D+01 -0.830170D+01
               126           127           128           129           130 
      1   0.803619D+00  0.964164D+00 -0.146497D+01 -0.228978D+01 -0.214220D+00
      2   0.102562D+02  0.746759D+01  0.348871D+01 -0.932731D+01  0.795088D+00
      3  -0.737210D+01  0.401112D+01  0.516186D+01 -0.618573D+01  0.351506D+01
               131           132           133           134           135 
      1  -0.393750D+00 -0.250875D+01 -0.153142D+01  0.116948D+01  0.641304D+01
      2   0.503183D+01 -0.708099D+01 -0.617918D+01 -0.979058D+01  0.254352D+02
      3   0.611460D+01 -0.580229D+01 -0.316831D+01 -0.730302D+01  0.132234D+02
               136           137           138           139           140 
      1  -0.189548D+01 -0.842425D+00 -0.160267D+01  0.590160D-01 -0.775206D+01
      2  -0.278013D+01  0.866685D+00 -0.169273D+01  0.987549D+00 -0.678118D+01
      3   0.440088D+01  0.384756D+01  0.133469D+01  0.282547D+01  0.177355D+02
               141           142           143           144           145 
      1  -0.727122D+01 -0.426555D-01 -0.510468D+01 -0.761226D+01  0.627565D+00
      2  -0.651509D+01 -0.151242D+01 -0.687443D+01 -0.766326D+01 -0.680261D+01
      3   0.776804D+01  0.119367D+01  0.118365D+02  0.914409D+01 -0.924562D+01
               146           147           148           149           150 
      1   0.162793D+01  0.182198D+01  0.122522D+01 -0.280876D+00 -0.117062D+01
      2   0.236590D+00  0.562389D+01  0.520511D+00 -0.178168D+01 -0.396543D+00
      3  -0.613709D+01 -0.701261D+00 -0.219802D+01 -0.407278D+00  0.119881D+01
               151           152           153           154           155 
      1   0.141254D+01 -0.323942D+00  0.369839D+00 -0.314306D+01 -0.117316D+01
      2   0.276407D+01 -0.176413D+01  0.240943D+01  0.921664D+01  0.452555D+00
      3  -0.147969D+01  0.844189D+00  0.617196D+00 -0.529611D+01 -0.231056D+02
               156           157           158           159           160 
      1  -0.548157D+01 -0.823790D+01 -0.334827D+01  0.197775D+00 -0.304814D+01
      2   0.202478D+02 -0.195972D+01  0.114028D+01  0.541064D+01  0.859076D+01
      3   0.888536D+00 -0.158115D+02 -0.144887D+02  0.173173D+01  0.357728D+00
               161           162           163           164           165 
      1   0.273620D+01  0.325752D+00 -0.461729D+01 -0.219962D+01  0.495425D+00
      2   0.399417D+01 -0.117934D+01  0.701343D+01  0.338717D+01  0.674245D+00
      3   0.225895D+01 -0.231738D+01 -0.489363D+01 -0.345726D+01 -0.165291D+00
               166           167           168           169           170 
      1  -0.482416D+01 -0.600981D+00  0.473084D+01  0.215890D+01  0.740502D+01
      2   0.363236D+01 -0.544365D+01  0.114099D+01 -0.967289D+01  0.883069D+00
      3   0.176149D+01 -0.121403D+00  0.590205D+01 -0.115781D+01  0.214647D+01
               171           172           173           174           175 
      1   0.324898D+01  0.603335D+01  0.210754D+01 -0.127090D+01  0.563866D+01
      2  -0.213171D+02 -0.187694D+02 -0.231623D+01 -0.456892D+01 -0.442130D+01
      3  -0.784579D+00  0.298961D+01  0.173699D+01 -0.105505D+01  0.504763D+01
               176           177           178           179           180 
      1   0.879321D+00 -0.276333D+01 -0.144541D+01 -0.103832D+01  0.706946D+00
      2  -0.216185D+01 -0.146520D+01 -0.674992D+00  0.232479D+00 -0.130643D+01
      3   0.228933D+00  0.421066D+00 -0.153948D+01 -0.773907D+00  0.704245D+00
               181           182           183           184           185 
      1  -0.198273D+00 -0.710215D+00 -0.716915D+01  0.326084D+01 -0.212368D+01
      2  -0.149637D+01  0.105295D+01  0.786623D+01  0.236760D+01 -0.743461D+01
      3   0.219092D+02 -0.149983D+02  0.151151D+00 -0.374714D+01  0.241415D+02
               186           187           188           189           190 
      1  -0.194957D+01 -0.148828D+02  0.475802D+01 -0.322131D+01 -0.186577D+01
      2   0.256378D+01 -0.334321D+00  0.948335D+01  0.483506D+01  0.100770D+02
      3   0.444325D+01  0.686525D-01  0.536377D+01  0.210321D+01  0.101949D+02
               191           192           193           194           195 
      1  -0.572684D+01 -0.125377D+01 -0.644115D+01 -0.451978D+01  0.409634D+01
      2  -0.331011D+01  0.403821D+01 -0.210206D+01  0.477929D+01  0.142986D+01
      3   0.172830D+02  0.484350D+01  0.431476D+02 -0.224222D+02  0.171393D+01
               196           197           198           199           200 
      1   0.116702D+01  0.118493D+02  0.309695D+01 -0.717177D-01  0.387829D+01
      2   0.309397D+01  0.301628D+01  0.362085D+01 -0.136771D+02  0.115724D+01
      3   0.907653D+01  0.165431D+00 -0.621343D+00  0.591730D+01 -0.154394D+02
               201           202           203           204           205 
      1   0.926828D-02  0.113139D+01  0.190018D+01 -0.383975D+01  0.289517D+01
      2   0.194563D+01 -0.106356D+01  0.280170D+01 -0.647913D+01 -0.211576D+02
      3  -0.198138D+01 -0.809602D+01  0.106351D+01 -0.364071D+01 -0.370864D+01
               206           207           208           209           210 
      1   0.395868D+01  0.687953D+00  0.182514D+01  0.517906D+01  0.149606D+01
      2  -0.121389D+02 -0.576718D+01  0.151992D-01  0.444761D+01  0.100578D+02
      3  -0.476290D+01  0.546311D+01 -0.159690D+02 -0.347038D+02 -0.603883D+01
               211           212           213           214           215 
      1   0.662560D+00  0.161088D+01 -0.663155D+01 -0.283089D+01  0.348696D+00
      2   0.199837D+01  0.258472D+01 -0.782291D+01 -0.521793D+01  0.453201D+01
      3   0.241372D+01 -0.747395D+01 -0.285892D+01 -0.245337D+01 -0.485549D+01
               216           217           218           219           220 
      1  -0.144177D+01 -0.235226D+01 -0.112096D+01  0.152393D+01  0.733888D+00
      2   0.250775D+00 -0.690261D+01 -0.309108D+01  0.756295D+01 -0.450141D+01
      3  -0.239187D+01  0.312076D+02 -0.104810D+02  0.699855D+01 -0.196382D+01
               221           222           223           224           225 
      1  -0.915060D+00  0.782665D+01 -0.982120D+01  0.874504D+01  0.488729D+01
      2  -0.726870D+01  0.326401D+02 -0.709829D+01  0.209460D+02  0.160365D+02
      3  -0.177132D+02  0.888951D+01  0.557349D+01  0.627717D+01 -0.268077D+02
               226           227           228           229           230 
      1   0.528757D+00 -0.474745D+00  0.170480D+01  0.372796D+00  0.110402D+00
      2   0.113675D+01 -0.946977D+00  0.273004D+00 -0.107658D+01  0.312718D+01
      3  -0.862914D+01  0.760958D+01  0.479236D+00  0.685185D+01 -0.200660D+02
               231           232           233           234           235 
      1  -0.452069D+01 -0.991180D+00  0.181739D+01 -0.552870D+00 -0.142972D+01
      2   0.601628D+00 -0.844293D-01  0.491319D+00  0.196287D+00  0.190489D+01
      3  -0.308912D+01 -0.736774D-01 -0.256749D+01 -0.253575D-01  0.671266D+00
               236           237           238           239           240 
      1  -0.169463D+00 -0.260767D+01 -0.798921D+00  0.176473D-01 -0.350982D+01
      2   0.173934D+01  0.352173D+01  0.262058D+01  0.314132D+01  0.458913D+01
      3  -0.592219D+01 -0.528948D+00 -0.625346D+01 -0.133250D+02 -0.252168D+01
               241           242           243           244           245 
      1   0.258178D+01  0.117300D+01 -0.310276D+00  0.420737D+00 -0.473251D+00
      2  -0.248156D+01  0.169664D+01  0.123009D+01  0.531090D+00 -0.638561D+00
      3  -0.933700D+00 -0.252864D+01 -0.186228D+01  0.146446D+01 -0.222695D+01
               246           247           248           249           250 
      1   0.844971D+00 -0.696004D+00  0.355758D+00 -0.306178D+01  0.466732D+00
      2   0.553215D+00 -0.586895D+00 -0.144678D+01 -0.230416D+01 -0.166978D+01
      3  -0.981987D-02 -0.594181D+00  0.149839D+02  0.209575D+01 -0.139148D+00
               251           252           253           254           255 
      1   0.150034D+01 -0.822367D-01  0.146414D+01  0.605222D+00  0.126893D+01
      2   0.975215D+00 -0.163929D+00  0.530646D+01  0.103788D+00  0.941181D+01
      3   0.289939D+01 -0.229365D+00 -0.129566D+02 -0.869786D+01 -0.160129D+01
               256           257           258           259           260 
      1   0.288984D+00  0.470649D+00 -0.696439D+00  0.188288D+01  0.786242D-01
      2   0.815702D+00  0.142298D+01  0.986282D-01  0.774629D+01 -0.182079D+01
      3  -0.643749D+01 -0.331211D+01 -0.192643D+01 -0.184859D+01 -0.246967D+01
               261           262           263           264           265 
      1   0.106974D+00 -0.755897D+00  0.144110D+00 -0.112169D+01  0.653485D+00
      2   0.174614D+01 -0.679411D+01  0.127603D+01 -0.250357D+01  0.512063D+01
      3   0.129953D+01  0.701792D+00  0.242143D+01  0.445733D+00 -0.438918D+01
               266           267           268           269           270 
      1  -0.178877D+01 -0.391741D+01  0.369777D+01 -0.951569D+00 -0.970389D+01
      2  -0.810064D+01 -0.122620D+02  0.912801D+01 -0.127754D+02 -0.338228D+02
      3   0.127516D+02  0.911671D+01 -0.617222D+01  0.118805D+02  0.160058D+02
               271           272           273           274           275 
      1   0.127118D+00 -0.125634D+00 -0.231498D+01 -0.312213D+00  0.798207D+00
      2   0.560447D+01  0.226165D+01 -0.575976D+01 -0.244719D+01  0.123842D+02
      3   0.168014D+01  0.695537D+01 -0.463476D+01 -0.428897D+01  0.259304D+02
               276           277           278           279 
      1  -0.433570D+01  0.156497D+01 -0.940031D+00  0.495236D+01
      2  -0.148019D+02  0.295110D+01 -0.140715D+02  0.181585D+02
      3  -0.154718D+02  0.286164D+01 -0.155549D+02  0.176719D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.734018D+02 -0.331689D+02 -0.105647D+02  0.812808D+02 -0.329776D+00
      2   0.392208D+02  0.214065D+02  0.861236D+01 -0.365700D+02  0.116569D+02
      3   0.341810D+02  0.117624D+02  0.195236D+01 -0.447108D+02 -0.113272D+02
      4  -0.904840D+01  0.166976D+02  0.349411D+01  0.113438D+02  0.234545D+02
      5  -0.853040D+01  0.121246D+01 -0.380138D+01  0.437883D-02  0.207788D+01
      6  -0.117024D+01  0.477104D+01 -0.101122D+01 -0.211782D+01 -0.593086D-01
                 6             7             8             9            10 
      1   0.103554D+02  0.571420D+01 -0.213308D+01 -0.868554D+01  0.899468D+02
      2  -0.173436D+01 -0.229370D+00  0.374464D+01  0.129726D+00 -0.364652D+02
      3  -0.862105D+01 -0.548483D+01 -0.161156D+01  0.855581D+01 -0.534816D+02
      4   0.565744D+01  0.111892D+01  0.466233D+01  0.274525D+01 -0.288214D+02
      5  -0.355963D+01 -0.160861D+00  0.175835D+01 -0.328576D+01  0.330616D+01
      6  -0.540336D+00 -0.286721D+01  0.507784D+01 -0.237207D+01 -0.542268D+00
                11            12            13            14            15 
      1  -0.191778D+02  0.724201D+01 -0.823128D+02 -0.297837D+02 -0.123668D+02
      2   0.148159D+02 -0.204469D+00  0.317786D+02  0.188095D+02  0.859401D+01
      3   0.436189D+01 -0.703754D+01  0.505342D+02  0.109743D+02  0.377283D+01
      4   0.139581D+02  0.247910D+01 -0.306903D+02 -0.182721D+02 -0.470409D+01
      5   0.375825D+01 -0.112985D+02 -0.362459D+01 -0.936437D+00  0.120672D+01
      6   0.170235D+01 -0.347249D+00 -0.121226D+01  0.530131D+01 -0.166677D+01
                16            17            18            19            20 
      1  -0.344113D+01 -0.613394D+01 -0.715620D+01  0.400193D+02  0.408556D+02
      2   0.340275D+01  0.363712D+01 -0.134344D+01 -0.218337D+02 -0.276554D+02
      3   0.383826D-01  0.249681D+01  0.849964D+01 -0.181857D+02 -0.132002D+02
      4  -0.879300D+01 -0.152602D+01 -0.455181D+01  0.148901D+02 -0.207203D+02
      5   0.151049D+01 -0.236065D+01 -0.482830D+01  0.618276D+01  0.145005D+01
      6  -0.265998D+01  0.497833D+01 -0.151812D+01  0.205088D+01 -0.931851D+01
                21            22            23            24            25 
      1   0.141797D+02 -0.124825D+02  0.204268D+02  0.919659D+01  0.227811D+01
      2  -0.823799D+01  0.194011D+02 -0.226793D+02 -0.517727D+01  0.444271D+01
      3  -0.594173D+01 -0.691863D+01  0.225251D+01 -0.401932D+01 -0.672082D+01
      4  -0.116454D+01  0.106965D+02 -0.832155D+00  0.183633D+01  0.756091D+01
      5   0.797997D+00  0.359997D+01  0.231310D+01 -0.457661D+01  0.896636D+01
      6  -0.691326D+00  0.592103D+01 -0.965109D+01  0.495557D+01  0.670219D+00
                26            27            28            29            30 
      1   0.166793D+02 -0.410459D+01  0.188860D+02  0.544778D+01 -0.701470D+01
      2  -0.105711D+02 -0.517306D+01 -0.247522D+02 -0.168300D+01  0.211447D+01
      3  -0.610821D+01  0.927764D+01  0.586617D+01 -0.376479D+01  0.490023D+01
      4   0.406200D+00 -0.440453D+01  0.114099D+02  0.124759D+02  0.175375D+01
      5  -0.716883D+01 -0.459910D+01 -0.470194D+01  0.221809D+01  0.702004D+01
      6   0.779442D+01 -0.345462D+01 -0.430070D+01  0.343853D+01  0.141767D+01
                31            32            33            34            35 
      1  -0.221396D+02 -0.566624D+02 -0.124207D+02 -0.128000D+02 -0.121241D+02
      2   0.150302D+02  0.462300D+02  0.136169D+02 -0.586457D+00  0.897546D+01
      3   0.710932D+01  0.104324D+02 -0.119615D+01  0.133865D+02  0.314862D+01
      4  -0.348707D+02  0.171761D+02  0.450464D+01 -0.105230D+02  0.615337D+01
      5  -0.125896D+02  0.826157D+00 -0.616057D+00  0.207232D+02  0.476440D+01
      6  -0.337765D+01  0.153525D+02 -0.321613D+00 -0.129212D+01  0.720872D+01
                36            37            38            39            40 
      1  -0.742349D+01 -0.103261D+02 -0.624522D+02 -0.141385D+02  0.274347D+02
      2  -0.574447D+01  0.403215D+01  0.440144D+02  0.385960D+01 -0.248083D+02
      3   0.131680D+02  0.629391D+01  0.184379D+02  0.102789D+02 -0.262633D+01
      4   0.218458D+01 -0.265253D+02  0.191112D+01 -0.486638D+01  0.212600D+02
      5   0.250454D+01 -0.165925D+01 -0.772620D+01  0.154648D+01  0.127449D+01
      6  -0.169779D+01 -0.725796D+01  0.789539D+01  0.107998D+02 -0.571702D+01
                41            42            43            44            45 
      1   0.327507D+02  0.765709D+01 -0.148624D+01 -0.494660D+01 -0.170491D+02
      2  -0.285867D+02 -0.873754D+01 -0.117090D+02 -0.414190D+01 -0.219291D+01
      3  -0.416394D+01  0.108046D+01  0.131953D+02  0.908849D+01  0.192420D+02
      4  -0.218829D+02 -0.636170D+01 -0.931175D+01 -0.776496D+01  0.434852D+01
      5  -0.452923D+01  0.525619D+01  0.129691D+02  0.434291D+01  0.605264D+01
      6  -0.129482D+02 -0.383937D+00  0.146357D+02  0.994506D+01  0.760251D+01
                46            47            48            49            50 
      1   0.166574D+02  0.529001D+02  0.167538D+02 -0.134502D+02  0.106154D+02
      2  -0.110810D+02 -0.337957D+02 -0.439203D+01  0.124530D+02 -0.154075D+02
      3  -0.557647D+01 -0.191044D+02 -0.123617D+02  0.997125D+00  0.479211D+01
      4   0.287261D+02 -0.139917D+02  0.318141D+00  0.177956D+02  0.102571D+02
      5  -0.422929D+01 -0.256448D+00  0.160851D+01 -0.337327D+00  0.202790D+01
      6   0.242611D+01 -0.113598D+02 -0.113204D+02  0.459988D+01 -0.867653D+01
                51            52            53            54            55 
      1   0.406689D+01  0.203036D+01  0.108486D+02 -0.191269D+02 -0.232139D+02
      2  -0.717010D+01  0.256620D+01 -0.180324D+02  0.582506D+01  0.459009D+01
      3   0.310321D+01 -0.459656D+01  0.718378D+01  0.133018D+02  0.186238D+02
      4   0.359819D+01  0.647770D+01 -0.160573D+01 -0.279945D+01 -0.880857D+01
      5   0.344988D+00  0.456922D+01 -0.116945D+01 -0.448875D+01  0.451178D+01
      6   0.642073D+01 -0.472051D+01  0.164887D+02  0.481246D+01  0.226316D+01
                56            57            58            59            60 
      1   0.384549D+02  0.810432D+01 -0.664274D+01  0.174119D+02  0.637152D+01
      2  -0.315668D+02 -0.269757D+01  0.680225D+01 -0.205634D+02 -0.745202D+01
      3  -0.688805D+01 -0.540675D+01 -0.159513D+00  0.315149D+01  0.108050D+01
      4  -0.535523D+02 -0.768599D+01  0.143491D+02  0.655787D+01 -0.110679D+01
      5  -0.365785D+01 -0.100553D+02  0.420056D+01 -0.106258D+01  0.554086D+01
      6  -0.576276D+01 -0.130131D+02  0.341903D+01 -0.879847D+01  0.770486D+01
                61            62            63            64            65 
      1  -0.162113D+01  0.119557D+02 -0.249513D+02  0.201198D+01  0.392699D+00
      2   0.203573D+01 -0.163967D+02  0.104565D+02  0.205290D+01 -0.250176D+01
      3  -0.414608D+00  0.444098D+01  0.144948D+02 -0.406487D+01  0.210906D+01
      4   0.119176D+01 -0.119335D+02  0.698334D+01 -0.932746D+01  0.993660D+01
      5  -0.115240D+01  0.112915D+02 -0.146290D+01  0.208396D+01 -0.906095D+00
      6  -0.496177D+01  0.195007D+02  0.336546D+00 -0.153152D+01  0.141036D+01
                66            67            68            69            70 
      1   0.679467D+00  0.390612D+01 -0.189330D+02 -0.864590D+00  0.285302D+01
      2  -0.244902D+00 -0.835572D+01  0.260154D+02  0.722153D+00 -0.214485D+01
      3  -0.434565D+00  0.444960D+01 -0.708239D+01  0.142438D+00 -0.708164D+00
      4  -0.372368D-01  0.138310D+02 -0.192570D+02 -0.687827D+00  0.661398D+00
      5   0.108257D+01 -0.595405D+00 -0.536922D+00 -0.246719D+01  0.601309D+00
      6  -0.971367D+00  0.161386D+01 -0.235564D+01  0.467301D+01 -0.210147D+01
                71            72            73            74            75 
      1  -0.303035D+01 -0.292783D+01  0.147484D+01 -0.508297D+01 -0.211668D+01
      2   0.305212D+01  0.302400D+01  0.495543D+01  0.103455D+02  0.158317D+01
      3  -0.217626D-01 -0.961731D-01 -0.643027D+01 -0.526254D+01  0.533508D+00
      4  -0.209848D+01 -0.133995D+01  0.217101D+02  0.204757D+02  0.550011D+01
      5  -0.400728D+00 -0.251559D+00  0.831170D+01  0.585440D+01  0.519795D+01
      6   0.222306D+01  0.101853D+01  0.743383D+01  0.749806D+01  0.479687D+01
                76            77            78            79            80 
      1  -0.946758D+01 -0.199717D+02 -0.637811D+01 -0.914506D+00 -0.435465D+01
      2   0.157141D+02  0.289792D+02  0.551358D+01  0.392090D+01  0.525803D+01
      3  -0.624655D+01 -0.900748D+01  0.864525D+00 -0.300640D+01 -0.903376D+00
      4   0.229437D+02  0.287087D+02  0.691170D+01  0.707127D+01  0.694311D+01
      5   0.634801D+01  0.727622D+01  0.495697D+01  0.229694D+01  0.362467D+01
      6   0.993536D+01  0.143084D+02  0.869600D+01  0.152230D+01  0.566065D+01
                81            82            83            84            85 
      1  -0.189653D+01 -0.479545D+01  0.959784D+01  0.112419D+01  0.856033D+01
      2   0.247001D+01  0.799539D+01 -0.141259D+02 -0.112301D+01 -0.108667D+02
      3  -0.573479D+00 -0.319994D+01  0.452807D+01 -0.118503D-02  0.230633D+01
      4   0.443006D+01 -0.772641D+01  0.146256D+02  0.211108D+01  0.963794D+01
      5   0.237477D+01 -0.255172D+01  0.370890D+01  0.262928D+01  0.257202D+01
      6   0.342956D+01  0.263102D+01 -0.353785D+01 -0.271784D+01 -0.365260D+01
                86            87            88            89            90 
      1  -0.435487D+02 -0.747950D+01  0.101685D+01 -0.639823D+01 -0.241324D+01
      2   0.573732D+02  0.690171D+01 -0.160354D+01  0.738063D+01  0.264747D+01
      3  -0.138245D+02  0.577788D+00  0.586686D+00 -0.982398D+00 -0.234226D+00
      4  -0.200343D+02 -0.300024D+01  0.156172D+01 -0.105248D+01 -0.243350D+01
      5  -0.627546D+01 -0.257356D+01  0.146538D+01 -0.257399D+01 -0.741646D+00
      6   0.155134D+02  0.918251D+01 -0.246667D+00  0.539268D+01  0.233006D+01
                91            92            93            94            95 
      1  -0.279941D+02 -0.171552D+02  0.120995D+02 -0.100542D+02 -0.459009D+01
      2   0.228492D+02  0.148547D+02 -0.634649D+01  0.112471D+02  0.370176D+01
      3   0.514496D+01  0.230047D+01 -0.575305D+01 -0.119289D+01  0.888335D+00
      4  -0.192449D+02 -0.163853D+02  0.311636D+01 -0.268503D+02  0.133675D+02
      5   0.148060D+02  0.254755D+01 -0.237385D+02 -0.562149D+00 -0.264445D+02
      6   0.757054D+00 -0.515327D+01 -0.152127D+00 -0.753327D+01  0.249776D+01
                96            97            98            99           100 
      1  -0.231913D+01  0.273074D+02  0.561889D+01 -0.179804D+02 -0.671971D+02
      2   0.608508D+01 -0.188940D+02  0.871705D+00  0.129172D+02  0.394976D+02
      3  -0.376595D+01 -0.841336D+01 -0.649060D+01  0.506323D+01  0.276995D+02
      4  -0.266811D+02  0.700744D+01 -0.203387D+02 -0.153690D+02  0.202182D+02
      5  -0.750012D+01 -0.385698D+02 -0.157367D+02 -0.120315D+01 -0.301141D+02
      6  -0.927810D+01 -0.689830D+01 -0.343348D+01 -0.693364D+01  0.446384D+01
               101           102           103           104           105 
      1   0.203855D+02 -0.281758D+02 -0.124979D+01  0.110781D+02 -0.306499D+01
      2  -0.147874D+02  0.846835D+01 -0.345401D+01 -0.782745D+01 -0.149868D+02
      3  -0.559808D+01  0.197074D+02  0.470380D+01 -0.325068D+01  0.180517D+02
      4   0.171352D+02 -0.383004D+01  0.219022D+02 -0.149891D+02  0.269598D+02
      5  -0.501750D+01  0.200484D+02 -0.791782D+01  0.274296D+02  0.118683D+02
      6   0.624912D+01 -0.123710D+02  0.919645D+01 -0.118351D+02 -0.452216D+01
               106           107           108           109           110 
      1  -0.199738D+02 -0.681321D+01  0.366596D+02 -0.805506D+02 -0.162442D+02
      2   0.901898D+01 -0.117912D+02 -0.170651D+02  0.288787D+02 -0.630587D+00
      3   0.109548D+02  0.186044D+02 -0.195945D+02  0.516719D+02  0.168748D+02
      4  -0.578262D+01  0.178559D+02  0.154160D+02 -0.303067D+02 -0.233081D+02
      5   0.133577D+02  0.196353D+02 -0.119450D+02  0.119649D+02  0.605580D+01
      6  -0.723586D+01 -0.934670D+01  0.146503D+02  0.145422D+01  0.290740D+01
               111           112           113           114           115 
      1   0.564154D+01 -0.175013D+02 -0.988085D+01  0.331102D+01 -0.367531D+02
      2  -0.424344D+00  0.300394D+01  0.561832D+01 -0.418842D+00  0.269984D+02
      3  -0.521720D+01  0.144973D+02  0.426253D+01 -0.289218D+01  0.975473D+01
      4   0.385613D+01  0.523676D+01 -0.117960D+02  0.214121D+01 -0.415938D+01
      5  -0.526173D+01  0.409431D+01  0.323773D+01 -0.134134D+00  0.293721D+02
      6  -0.226530D+01  0.410368D+01  0.982812D+00  0.301152D+01  0.904604D+01
               116           117           118           119           120 
      1  -0.314582D+01  0.229374D+02  0.110504D+02  0.823077D+01  0.541878D+01
      2   0.414701D+01 -0.686082D+01 -0.884910D+01 -0.591323D+01 -0.511734D+01
      3  -0.100119D+01 -0.160765D+02 -0.220128D+01 -0.231754D+01 -0.301439D+00
      4  -0.545060D+00  0.610094D+01  0.144809D+02  0.120142D+02  0.458428D+01
      5   0.614796D+01 -0.503880D+01  0.139916D+02  0.555331D+01  0.160912D+02
      6  -0.973688D+00  0.113952D+01  0.556341D+01  0.286824D+01  0.303509D+01
               121           122           123           124           125 
      1   0.166017D+02  0.737431D+00 -0.776640D+00  0.743692D+01 -0.142170D+01
      2  -0.107854D+02 -0.480439D+00 -0.236389D+01 -0.816153D+01 -0.342738D+01
      3  -0.581629D+01 -0.256992D+00  0.314053D+01  0.724604D+00  0.484908D+01
      4   0.161463D+02  0.196661D+02  0.160324D+02  0.635271D+01  0.159663D+02
      5   0.111678D+02  0.163521D+02  0.153506D+02  0.227262D+02  0.144093D+02
      6   0.489041D+01  0.988227D+01  0.100899D+02  0.532566D+01  0.861043D+01
               126           127           128           129           130 
      1  -0.301491D+00 -0.594871D+01 -0.100286D+02  0.202738D+02 -0.236699D+01
      2  -0.103973D+02  0.191926D-01  0.605964D+01 -0.472524D+01  0.118799D+01
      3   0.106988D+02  0.592952D+01  0.396894D+01 -0.155486D+02  0.117900D+01
      4   0.145209D+02  0.112306D+00 -0.582815D+01  0.192297D+01  0.761736D+00
      5   0.290299D+02  0.511359D+01  0.414839D+01 -0.905781D+01 -0.678977D+00
      6   0.998260D+01 -0.419577D+01 -0.615141D+01  0.100219D+02 -0.137858D+01
               131           132           133           134           135 
      1  -0.125364D+02  0.114601D+02  0.131025D+02  0.140382D+02 -0.372081D+02
      2   0.765775D+01 -0.426095D+01 -0.515894D+01 -0.373716D+01 -0.829901D+00
      3   0.487866D+01 -0.719916D+01 -0.794354D+01 -0.103010D+02  0.380380D+02
      4  -0.771263D+01  0.636269D+01 -0.636968D+01  0.119801D+02 -0.146847D+02
      5   0.624703D+01 -0.108210D+02  0.482957D+01 -0.176700D+02  0.410211D+02
      6  -0.923483D+01  0.139354D+02  0.681909D+00  0.164659D+02 -0.284515D+02
               136           137           138           139           140 
      1   0.268456D+01 -0.798418D+01 -0.138803D+01 -0.678063D+01 -0.138709D+02
      2   0.120038D+01  0.637449D+01  0.235373D+01  0.155803D+01  0.276730D+02
      3  -0.388494D+01  0.160970D+01 -0.965700D+00  0.522260D+01 -0.138021D+02
      4  -0.458360D+01 -0.154870D+01  0.167599D+01  0.860490D+01 -0.298206D+02
      5  -0.203925D+01 -0.919043D-01 -0.356083D+01  0.221682D+00 -0.134331D+02
      6   0.174287D+01 -0.693410D+00  0.274629D+01 -0.558674D+00  0.418222D+01
               141           142           143           144           145 
      1  -0.416314D+01 -0.603791D+01 -0.436156D+01 -0.937750D+01  0.105819D+03
      2   0.119805D+02  0.185358D+01  0.146442D+02  0.107220D+02 -0.562317D+02
      3  -0.781735D+01  0.418433D+01 -0.102826D+02 -0.134453D+01 -0.495871D+02
      4  -0.121998D+02  0.931042D+01 -0.221274D+02 -0.113032D+02 -0.445154D+02
      5  -0.127508D+02 -0.558671D+00 -0.125626D+02 -0.161392D+02  0.401053D+02
      6   0.779854D+01  0.667664D+00  0.666003D+01  0.746892D+01 -0.879310D+01
               146           147           148           149           150 
      1  -0.157178D+02  0.158970D+02 -0.394430D+01  0.843327D+01 -0.215266D+00
      2   0.490749D+01 -0.111287D+02 -0.138933D+01 -0.261655D+01  0.654047D+00
      3   0.108103D+02 -0.476829D+01  0.533363D+01 -0.581672D+01 -0.438781D+00
      4   0.204995D+02 -0.859817D+01  0.140568D+02 -0.489254D+01  0.210408D+00
      5  -0.797739D+01  0.193368D+02 -0.702415D+00  0.172155D+01 -0.996704D+00
      6   0.465742D+01 -0.489196D+01  0.307511D+01 -0.229024D+00  0.218944D+01
               151           152           153           154           155 
      1   0.111974D+02 -0.904572D+00  0.702167D+01  0.187989D+03  0.323944D+02
      2  -0.897940D+01  0.221760D+01 -0.619420D+01 -0.855715D+02 -0.906864D+01
      3  -0.221802D+01 -0.131303D+01 -0.827472D+00 -0.102417D+03 -0.233258D+02
      4  -0.437020D+01  0.356497D+00 -0.597632D+01  0.514340D+02  0.447118D+02
      5   0.181256D+02 -0.501940D+01  0.103775D+02 -0.336001D+02 -0.865489D+01
      6  -0.378752D+01  0.301583D+01 -0.334067D+01 -0.149078D+01 -0.438250D+01
               156           157           158           159           160 
      1  -0.822614D+01  0.294030D+02  0.343213D+02  0.434888D-01 -0.896765D+01
      2   0.883464D+01 -0.549928D+01 -0.798905D+01  0.398898D+00  0.939374D+01
      3  -0.608499D+00 -0.239037D+02 -0.263323D+02 -0.442387D+00 -0.426082D+00
      4  -0.599810D+01  0.534539D+02  0.367960D+02 -0.482080D+01 -0.558900D+01
      5   0.354267D+02 -0.547458D+01 -0.845889D+01  0.751297D+01  0.388510D+02
      6   0.317406D+01 -0.848776D+01 -0.494707D+01  0.595573D+01  0.482880D+01
               161           162           163           164           165 
      1  -0.135908D+01  0.230800D+02  0.481259D+02  0.945713D+01 -0.185918D+02
      2   0.143942D+01 -0.149844D+02 -0.325525D+02 -0.404569D+01  0.110144D+02
      3  -0.803436D-01 -0.809566D+01 -0.155735D+02 -0.541144D+01  0.757744D+01
      4  -0.254267D+01  0.951195D+01  0.142342D+02  0.753645D+01 -0.126525D+01
      5   0.946510D+01 -0.970492D+01 -0.326122D+02 -0.162736D+01  0.184135D+02
      6   0.536402D+01 -0.238390D+01 -0.559879D+01 -0.120566D+01  0.781488D+00
               166           167           168           169           170 
      1   0.146088D+02 -0.940493D+01  0.923691D+00  0.212451D+01  0.311471D+01
      2  -0.829879D+01  0.271423D+01 -0.118101D+01  0.180556D+01 -0.186203D+01
      3  -0.630997D+01  0.669070D+01  0.257318D+00 -0.393007D+01 -0.125268D+01
      4   0.455664D+01 -0.181677D+01 -0.941597D+01  0.154130D+01 -0.415393D+01
      5  -0.584740D+01 -0.885506D+01  0.612886D+00  0.121264D+02  0.927069D+00
      6  -0.226112D+01 -0.184773D+01  0.114347D+02 -0.126616D+01  0.967967D+01
               171           172           173           174           175 
      1  -0.312023D+02 -0.481873D+02 -0.473094D+01 -0.152892D+01 -0.125404D+02
      2  -0.114821D+02  0.293246D+02  0.278326D+01 -0.672473D+01  0.863053D+01
      3   0.426843D+02  0.188627D+02  0.194768D+01  0.825365D+01  0.390987D+01
      4  -0.106618D+01 -0.105607D+02 -0.461044D+01  0.118483D+01 -0.156341D+01
      5  -0.375249D+02  0.248645D+02  0.182404D+01 -0.153208D+02  0.571394D+01
      6  -0.241855D+01  0.475799D+01  0.311634D+01 -0.131771D+01  0.158612D+01
               176           177           178           179           180 
      1  -0.429835D+01 -0.505654D-01  0.137436D+02  0.193467D+01 -0.885444D+01
      2   0.279785D+01 -0.212603D+01 -0.130529D+02 -0.164923D+01  0.538250D+01
      3   0.150049D+01  0.217660D+01 -0.690700D+00 -0.285435D+00  0.347194D+01
      4  -0.637257D+00 -0.185826D+01  0.515177D+01  0.806751D+00 -0.193008D+01
      5  -0.151302D+01 -0.445903D+01 -0.132241D+02 -0.118706D+01  0.506964D+01
      6   0.110258D+01  0.209765D+01 -0.193960D+01  0.437257D+00  0.135414D+01
               181           182           183           184           185 
      1   0.321854D+02 -0.544611D+02 -0.800624D+01  0.399103D+02  0.233967D+02
      2  -0.162136D+02  0.429792D+02  0.217934D+01 -0.292630D+02 -0.237106D+02
      3  -0.159718D+02  0.114819D+02  0.582690D+01 -0.106473D+02  0.313956D+00
      4  -0.989329D+01  0.376644D+02 -0.224670D+01  0.105416D+02 -0.320842D+02
      5  -0.936059D+01 -0.435704D+01  0.128533D+02 -0.223523D+01 -0.115751D+02
      6  -0.753669D+01 -0.634062D+00  0.122002D+02 -0.739236D+01 -0.992614D+01
               186           187           188           189           190 
      1   0.562609D+01  0.483242D+01 -0.650397D+01  0.512965D+00  0.136082D+03
      2  -0.674552D+01 -0.129408D+02 -0.191702D+01 -0.846577D+01 -0.734221D+02
      3   0.111943D+01  0.810841D+01  0.842099D+01  0.795281D+01 -0.626603D+02
      4  -0.108447D+02 -0.112501D+02 -0.107161D+02  0.190975D+02  0.205889D+01
      5   0.798777D+01  0.301434D+02  0.163538D+02  0.117139D+02  0.588479D+00
      6   0.201644D+01  0.203432D+02  0.133626D+02  0.625678D+01 -0.322566D+01
               191           192           193           194           195 
      1   0.126102D+02  0.117734D+02  0.567161D+02 -0.429789D+02 -0.628002D+01
      2   0.128817D+01 -0.343262D+01 -0.229495D+02  0.440654D+02  0.122496D+02
      3  -0.138983D+02 -0.834079D+01 -0.337665D+02 -0.108653D+01 -0.596960D+01
      4   0.168425D+02  0.869901D+00 -0.434007D+02  0.581156D+02  0.461909D+01
      5   0.209829D+01  0.109672D+02 -0.125178D+02  0.758189D+01  0.300735D+01
      6   0.128082D+00  0.276474D+01 -0.334980D+01  0.908353D+01 -0.640490D+01
               196           197           198           199           200 
      1   0.150695D+02 -0.113872D+02  0.209969D+02 -0.111951D+03  0.205094D+02
      2  -0.827288D+01  0.103502D+02 -0.187000D+02  0.471761D+02 -0.206076D+02
      3  -0.679666D+01  0.103698D+01 -0.229692D+01  0.647746D+02  0.982077D-01
      4  -0.166365D+02  0.979079D+01  0.338955D+01  0.284468D+02 -0.304621D+02
      5   0.456670D+02  0.911664D+01  0.781864D+01 -0.507314D+01 -0.261479D+01
      6   0.128040D+01  0.664506D+01 -0.345280D+01  0.237888D+01 -0.475221D+01
               201           202           203           204           205 
      1  -0.606211D+01 -0.909322D+02  0.100590D+02 -0.272453D+01 -0.292748D+02
      2   0.124941D+01  0.562857D+02 -0.185594D+02 -0.128216D+01  0.172208D+02
      3   0.481270D+01  0.346465D+02  0.850046D+01  0.400669D+01  0.120539D+02
      4  -0.103811D+01  0.210837D+02 -0.188875D+02  0.384316D+01  0.889791D+01
      5   0.521070D+01 -0.146860D+01  0.241221D+01 -0.138150D+02  0.419198D+01
      6  -0.142725D+00  0.616971D+01 -0.741362D+01  0.840663D+01 -0.824219D+00
               206           207           208           209           210 
      1   0.103034D+02 -0.139594D+02  0.118102D+02  0.554485D+01 -0.867937D+00
      2  -0.993913D+01 -0.416426D+01 -0.831014D+01 -0.440630D+01 -0.165642D+01
      3  -0.364297D+00  0.181236D+02 -0.350010D+01 -0.113855D+01  0.252436D+01
      4  -0.931270D+00 -0.162366D+02  0.172940D+02  0.991006D+01  0.863052D-01
      5  -0.205457D+02 -0.113249D+02  0.661730D+01 -0.995573D+00  0.178338D+02
      6   0.816199D+01 -0.977470D+00  0.108277D+01  0.220063D+01 -0.295849D+01
               211           212           213           214           215 
      1   0.164392D+02  0.218905D+01  0.476840D+01  0.225191D+01 -0.600247D+00
      2  -0.827026D+01 -0.203123D+00 -0.536830D+01 -0.342933D+01 -0.156461D+01
      3  -0.816893D+01 -0.198593D+01  0.599900D+00  0.117742D+01  0.216486D+01
      4   0.255748D+02  0.194343D+02  0.636592D+01  0.382990D+01  0.246353D+01
      5   0.643236D+01  0.492442D+01 -0.143862D+02  0.123599D+02  0.451351D+01
      6   0.467650D+00 -0.141755D+01  0.113848D+02  0.125301D+01  0.385427D+01
               216           217           218           219           220 
      1   0.426455D+01 -0.983145D+02 -0.730986D+01 -0.176553D+02 -0.225671D+02
      2  -0.317273D+01  0.556308D+02  0.962002D+00  0.106580D+02  0.874229D+01
      3  -0.109182D+01  0.426837D+02  0.634786D+01  0.699736D+01  0.138248D+02
      4   0.589734D+01 -0.110179D+02  0.229375D+02 -0.387884D+01  0.152314D+01
      5   0.367089D+01 -0.172956D+02 -0.434654D+01  0.947985D+01 -0.101642D+02
      6   0.314225D+01  0.962590D+00  0.303058D+01 -0.411661D+01  0.983775D+00
               221           222           223           224           225 
      1   0.215993D+02 -0.169162D+02 -0.183735D+02 -0.103527D+02  0.151772D+02
      2  -0.126261D+02  0.126266D+02  0.768784D+01  0.868507D+01 -0.113131D+02
      3  -0.897319D+01  0.428960D+01  0.106857D+02  0.166763D+01 -0.386418D+01
      4   0.547143D+01 -0.147319D+02 -0.647363D+01 -0.898192D+01  0.371182D+02
      5  -0.148860D+02  0.620808D+02 -0.122520D+02  0.381693D+02  0.314523D+02
      6   0.733785D+01 -0.223471D+02  0.800339D+01 -0.152683D+02 -0.619723D+01
               226           227           228           229           230 
      1  -0.810125D+01  0.170832D+02  0.159364D+01  0.854047D+01 -0.514952D+02
      2   0.931357D+01 -0.189470D+02 -0.151886D+01 -0.936827D+01  0.652925D+02
      3  -0.121232D+01  0.186383D+01 -0.747829D-01  0.827796D+00 -0.137973D+02
      4  -0.206553D+01  0.498337D+01  0.752292D+00  0.260166D+01  0.126441D+02
      5  -0.816627D+00  0.133862D+01  0.119098D+01  0.316044D+00 -0.697127D+00
      6   0.825979D+00 -0.132532D+01 -0.258990D+01 -0.156113D+01  0.793461D+01
               231           232           233           234           235 
      1  -0.737148D+01  0.314832D+00 -0.681865D+01 -0.185434D+01  0.259917D+02
      2   0.720539D+01 -0.939833D+00  0.802802D+01  0.265737D+01 -0.362938D+01
      3   0.166093D+00  0.625001D+00 -0.120937D+01 -0.803033D+00 -0.223623D+02
      4   0.148864D+01 -0.115368D+00  0.276734D+01 -0.756626D+00  0.433259D+02
      5   0.127945D+01  0.207151D+01 -0.370390D+00  0.389494D+00  0.105491D+02
      6   0.810366D+01  0.423486D+00  0.426383D+01  0.192072D+01  0.645290D+01
               236           237           238           239           240 
      1   0.134132D+02  0.437155D+01  0.104181D+02  0.258672D+01  0.647925D+00
      2   0.365340D+01 -0.101538D+01  0.999497D+01  0.209634D+02  0.290526D+01
      3  -0.170666D+02 -0.335617D+01 -0.204131D+02 -0.235501D+02 -0.355319D+01
      4   0.380030D+02  0.987881D+01  0.448097D+02  0.547717D+02  0.123611D+02
      5   0.757180D+01  0.790310D+01  0.933890D+01  0.949569D+01  0.826297D+01
      6   0.554416D+01  0.488930D+01  0.785065D+01  0.978928D+01  0.768606D+01
               241           242           243           244           245 
      1   0.539508D+01  0.183537D+01 -0.252384D+00  0.124512D+02 -0.112403D+02
      2   0.139961D+01  0.324907D+01  0.186536D+01 -0.369448D+01  0.331258D+01
      3  -0.679469D+01 -0.508445D+01 -0.161297D+01 -0.875668D+01  0.792773D+01
      4   0.135819D+02  0.134823D+02  0.652027D+01 -0.187057D+02  0.150995D+02
      5   0.218536D+01  0.471696D+01  0.352974D+01 -0.214458D+01  0.119505D+01
      6   0.100847D+01  0.452971D+01  0.294560D+01  0.541646D+00  0.496508D-01
               246           247           248           249           250 
      1  -0.687410D+00 -0.128693D+02 -0.250734D+01 -0.104199D+01 -0.629830D+00
      2   0.257112D+00  0.342179D-01  0.153266D+02  0.793036D+00 -0.143536D-01
      3   0.430298D+00  0.128351D+02 -0.128192D+02  0.248954D+00  0.644184D+00
      4   0.551760D+00  0.263214D+02 -0.389860D+02 -0.392202D+01  0.253432D+01
      5   0.168994D+01  0.342410D+01 -0.640990D+01 -0.479533D+01  0.138711D+01
      6  -0.760760D+00 -0.132303D+01  0.307176D+01  0.446444D+01 -0.236747D+01
               251           252           253           254           255 
      1  -0.173071D+01 -0.149382D+01  0.205363D+03 -0.312688D+01  0.179794D+02
      2   0.229242D+01  0.212365D+01 -0.107678D+03 -0.448462D+00 -0.105097D+02
      3  -0.561711D+00 -0.629831D+00 -0.976847D+02  0.357534D+01 -0.746978D+01
      4  -0.546307D+01 -0.109590D+01 -0.206234D+02  0.158006D+02 -0.178393D+01
      5  -0.392337D+00 -0.601741D+00  0.201776D+02 -0.332412D+00  0.189358D+02
      6   0.181369D+01  0.120205D+01 -0.325269D+01  0.671009D+00 -0.228309D+01
               256           257           258           259           260 
      1   0.218603D+02  0.152842D+02  0.319242D+01  0.220473D+02  0.110701D+01
      2  -0.138894D+02 -0.766862D+01 -0.239697D+01 -0.130591D+02 -0.128906D+01
      3  -0.797085D+01 -0.761556D+01 -0.795448D+00 -0.898819D+01  0.182056D+00
      4   0.170566D+02  0.357148D+01  0.340065D+01 -0.199975D+01  0.384146D+01
      5   0.222702D+01  0.366846D+01  0.548749D+00  0.244169D+02 -0.349935D+01
      6   0.460129D+00 -0.544913D+00  0.169409D+01 -0.268395D+01  0.255169D+01
               261           262           263           264           265 
      1   0.167926D+02  0.868375D+01 -0.315798D+01 -0.102462D+02 -0.440295D+01
      2  -0.995917D+01 -0.492019D+01  0.225987D+01  0.428640D+01  0.449343D+00
      3  -0.683339D+01 -0.376356D+01  0.898111D+00  0.595979D+01  0.395361D+01
      4  -0.459147D+01 -0.121883D+01 -0.965234D+00  0.417977D+01  0.164587D+02
      5   0.508554D+01 -0.984564D+01  0.297531D+01 -0.219679D+01  0.121283D+02
      6  -0.480805D+00  0.293654D+01 -0.686638D+00  0.211845D+01 -0.421029D+01
               266           267           268           269           270 
      1   0.106351D+01  0.274356D+01 -0.302266D+02  0.777445D+01  0.592403D+00
      2   0.324034D+01  0.116637D+01  0.170331D+02 -0.218762D+01 -0.646059D+01
      3  -0.430386D+01 -0.390993D+01  0.131936D+02 -0.558682D+01  0.586819D+01
      4  -0.201038D+02 -0.159735D+02  0.230371D+02 -0.205652D+02 -0.238759D+02
      5  -0.163174D+02 -0.240307D+02  0.310391D+02 -0.244971D+02 -0.654629D+02
      6   0.643034D+01  0.108685D+02 -0.906184D+01  0.107213D+02  0.177907D+02
               271           272           273           274           275 
      1  -0.326152D+01 -0.560322D+01  0.124745D+02 -0.929294D+01 -0.802210D+01
      2   0.147308D+01  0.484881D+01 -0.613936D+01  0.208989D+01  0.145250D+02
      3   0.178844D+01  0.754403D+00 -0.633518D+01  0.720305D+01 -0.650287D+01
      4   0.262852D+01 -0.655492D+01  0.248849D+01  0.203193D+02 -0.400111D+02
      5   0.665176D+01  0.346260D+01 -0.934259D+01 -0.834771D+01  0.243388D+02
      6  -0.182953D+01 -0.317492D+01  0.517641D+01  0.511268D+01 -0.144745D+02
               276           277           278           279 
      1   0.846220D+01  0.216162D+02  0.370271D+01 -0.109031D+02
      2  -0.879682D+01 -0.977160D+01 -0.507347D+01  0.319568D+01
      3   0.334613D+00 -0.118446D+02  0.137076D+01  0.770742D+01
      4   0.252674D+02 -0.155144D+02  0.248704D+02 -0.258493D+02
      5  -0.283355D+02  0.154568D+02 -0.261061D+02  0.337651D+02
      6   0.143247D+02 -0.679912D+01  0.139061D+02 -0.152931D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.214228D+01      0.544512D+01      0.181630D+02
   y          0.125065D+00      0.317884D+00      0.106035D+01
   z         -0.766618D+00     -0.194855D+01     -0.649966D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.274092D+03      0.406162D+02      0.451916D+02
   yx         0.613465D+01      0.909062D+00      0.101147D+01
   yy         0.161835D+03      0.239815D+02      0.266830D+02
   zx         0.139700D+02      0.207014D+01      0.230334D+01
   zy         0.779260D+01      0.115474D+01      0.128483D+01
   zz         0.111053D+03      0.164563D+02      0.183101D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197471D+03      0.292622D+02      0.325586D+02
   aniso      0.157730D+03      0.233732D+02      0.260062D+02
   xx         0.295492D+03      0.437874D+02      0.487200D+02
   yx         0.797649D+01      0.118199D+01      0.131515D+01
   yy         0.175291D+03      0.259755D+02      0.289016D+02
   zx         0.152522D+02      0.226014D+01      0.251474D+01
   zy         0.841090D+01      0.124637D+01      0.138677D+01
   zz         0.121630D+03      0.180237D+02      0.200541D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12685746         -1.31864198          1.24471617
     6          0.28961202          1.18640270          2.20845754
     6         -1.03045716         -1.73988336         -1.12581829
     6         -2.01048435          0.21538267         -2.53535818
     6         -1.83584601          2.70109470         -1.55441997
     6         -0.73006870          3.17223862          0.73533207
     6          1.13518463         -3.31629389          2.71589218
     1         -1.14868957         -3.66645946         -1.80418757
     1         -2.59941070          4.25103246         -2.65278720
     1         -0.62565157          5.08788170          1.44896937
     6         -3.16271156         -0.15736282         -5.12498158
     6         -4.31525535         -2.77973976         -5.58603279
     6         -1.29571400          0.38002939         -7.28501530
     1         -4.65695844          1.24137457         -5.37682931
     1         -5.70687771         -3.21333965         -4.13034074
     1         -2.88109261         -4.26021749         -5.57352635
     1         -5.23822744         -2.81484303         -7.42436782
     8         -1.96739865          0.97098024         -9.36568904
     8          1.17929421          0.05245810         -6.75797406
     1          1.38111168         -0.30869714         -4.97097078
     6          2.24205273         -2.86040468          4.99913785
     6          2.40344850         -0.36307919          5.95212358
     6          1.44314596          1.62490745          4.58176569
     8          3.54546113         -0.15948329          8.23878017
     6          3.78285036          2.28111217          9.32026527
     1          1.01785064         -5.23028163          2.00022694
     1          3.01765608         -4.37383521          6.13294247
     1          1.54494658          3.54218531          5.27438836
     1          4.73840661          2.01479593         11.11879294
     1          1.93044529          3.13882722          9.64364443
     1          4.91195261          3.52534945          8.11673721

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.227875D+01      0.579200D+01      0.193200D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.137999D+03      0.204493D+02      0.227529D+02
   yx        -0.503962D+01     -0.746794D+00     -0.830920D+00
   yy         0.162171D+03      0.240313D+02      0.267384D+02
   zx         0.629524D+02      0.932859D+01      0.103795D+02
   zy        -0.914512D+00     -0.135517D+00     -0.150783D+00
   zz         0.246810D+03      0.365734D+02      0.406934D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197471D+03      0.292622D+02      0.325586D+02
   aniso      0.157730D+03      0.233732D+02      0.260062D+02
   xx         0.150545D+03      0.223085D+02      0.248216D+02
   yx        -0.596827D+01     -0.884407D+00     -0.984035D+00
   yy         0.175551D+03      0.260140D+02      0.289444D+02
   zx         0.673867D+02      0.998568D+01      0.111106D+02
   zy        -0.228019D+01     -0.337889D+00     -0.375952D+00
   zz         0.266317D+03      0.394641D+02      0.439098D+02

 ----------------------------------------------------------------------
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 IN THE WOODS WE RETURN TO REASON AND FAITH.

                                 -- EMERSON
 Job cpu time:       0 days 23 hours 44 minutes  9.2 seconds.
 Elapsed time:       0 days  2 hours 58 minutes 29.4 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 21:11:28 2021.
